Piperidione
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Piperidione
- DrugBank Accession Number
- DB13224
- Background
Piperidione was cough medicine marketed by Roche under the trade name Sedulon.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 169.224
Monoisotopic: 169.110278727 - Chemical Formula
- C9H15NO2
- Synonyms
- Not Available
- External IDs
- NSC-75628
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- ATC Codes
- R05DB23 — Piperidione
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as piperidinediones. These are compounds containing a piperidine ring which bears two ketones.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Piperidines
- Sub Class
- Piperidinones
- Direct Parent
- Piperidinediones
- Alternative Parents
- Delta lactams / Secondary carboxylic acid amides / Cyclic ketones / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
- Substituents
- Aliphatic heteromonocyclic compound / Azacycle / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Cyclic ketone / Delta-lactam / Hydrocarbon derivative / Ketone / Lactam
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- piperidones (CHEBI:81302)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- BZ6KL0Q8UD
- CAS number
- 77-03-2
- InChI Key
- RGEVWUKXWFOAID-UHFFFAOYSA-N
- InChI
- InChI=1S/C9H15NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h3-6H2,1-2H3,(H,10,12)
- IUPAC Name
- 3,3-diethylpiperidine-2,4-dione
- SMILES
- CCC1(CC)C(=O)CCNC1=O
References
- General References
- Not Available
- External Links
- KEGG Compound
- C17730
- ChemSpider
- 6222
- ChEBI
- 81302
- ChEMBL
- CHEMBL3707370
- ZINC
- ZINC000003875487
- Wikipedia
- Piperidione
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 29.0 mg/mL ALOGPS logP 0.38 ALOGPS logP 1.34 Chemaxon logS -0.77 ALOGPS pKa (Strongest Acidic) 14.47 Chemaxon pKa (Strongest Basic) -3.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 46.17 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 45.68 m3·mol-1 Chemaxon Polarizability 18.06 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-00b9-9400000000-e079d9e098904ecba937 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-006x-0900000000-5651d1970aeab2d5b5e7 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0900000000-8fb5a93ffdfe82ce345a Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00kf-5900000000-afc2330d434086024618 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-2900000000-34c5a67df5fad69ceb09 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0fk9-7900000000-f397586e9e541cca4bea Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9800000000-de8e74636fc2bb95fc44 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 138.2155198 predictedDarkChem Lite v0.1.0 [M-H]- 130.7777 predictedDeepCCS 1.0 (2019) [M+H]+ 138.8596198 predictedDarkChem Lite v0.1.0 [M+H]+ 134.6082 predictedDeepCCS 1.0 (2019) [M+Na]+ 138.3085198 predictedDarkChem Lite v0.1.0 [M+Na]+ 143.39778 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:38 / Updated at June 12, 2020 16:53