2-(2-oxopiperidin-1-yl)acetamide

• ChemBase ID: 180671
• Molecular Formular: C7H12N2O2
• Molecular Mass: 156.18238
• Monoisotopic Mass: 156.08987763
• SMILES: N1(C(=O)CCCC1)CC(=O)N
• Canonical SMILES: NC(=O)CN1CCCCC1=O
• InChI: InChI=1S/C7H12N2O2/c8-6(10)5-9-4-2-1-3-7(9)11/h1-5H2,(H2,8,10)
• InChIKey: QOSQDHSPKMBGMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-oxopiperidin-1-yl)acetamide
• IUPAC Traditional name: 2-(2-oxopiperidin-1-yl)acetamide

Database IDs

• PubChem SID: 164236581
• PubChem CID: 927456

CALCULATED PROPERTIES

• Acid pKa: 16.049757
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.240324
• LogD (pH = 7.4): -1.2403239
• Log P: -1.2403239
• Molar Refractivity: 39.6624 cm^3
• Polarizability: 15.37034 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds