2-(6-oxopiperidin-2-yl)acetamide

• ChemBase ID: 276358
• Molecular Formular: C7H12N2O2
• Molecular Mass: 156.18238
• Monoisotopic Mass: 156.08987763
• SMILES: N1C(=O)CCCC1CC(=O)N
• Canonical SMILES: NC(=O)CC1CCCC(=O)N1
• InChI: InChI=1S/C7H12N2O2/c8-6(10)4-5-2-1-3-7(11)9-5/h5H,1-4H2,(H2,8,10)(H,9,11)
• InChIKey: IBFHIXNYFZWLDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-oxopiperidin-2-yl)acetamide
• IUPAC Traditional name: 2-(6-oxopiperidin-2-yl)acetamide
• Synonyms: 2-(6-oxopiperidin-2-yl)acetamide

Database IDs

• MDL Number: MFCD19382158
• PubChem SID: 164332268
• PubChem CID: 54594153

CALCULATED PROPERTIES

• Acid pKa: 14.396997
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1672205
• LogD (pH = 7.4): -1.1672201
• Log P: -1.1672201
• Molar Refractivity: 39.1353 cm^3
• Polarizability: 15.37034 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.186

Product Information

• Purity: 95%