2-chloro-N-[1-oxo-1-(piperidin-1-yl)propan-2-yl]acetamide

• ChemBase ID: 260700
• Molecular Formular: C10H17ClN2O2
• Molecular Mass: 232.70718
• Monoisotopic Mass: 232.09785547
• SMILES: C(=O)(N1CCCCC1)C(NC(=O)CCl)C
• Canonical SMILES: ClCC(=O)NC(C(=O)N1CCCCC1)C
• InChI: InChI=1S/C10H17ClN2O2/c1-8(12-9(14)7-11)10(15)13-5-3-2-4-6-13/h8H,2-7H2,1H3,(H,12,14)
• InChIKey: WPVYALKGBHGBDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[1-oxo-1-(piperidin-1-yl)propan-2-yl]acetamide
• IUPAC Traditional name: 2-chloro-N-[1-oxo-1-(piperidin-1-yl)propan-2-yl]acetamide
• Synonyms: 2-chloro-N-[1-oxo-1-(piperidin-1-yl)propan-2-yl]acetamide

Database IDs

• MDL Number: MFCD01497682
• PubChem SID: 164316610
• PubChem CID: 54592501

CALCULATED PROPERTIES

• Acid pKa: 10.473278
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.26825064
• LogD (pH = 7.4): 0.26792988
• Log P: 0.26825476
• Molar Refractivity: 58.4519 cm^3
• Polarizability: 22.739029 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.621

Product Information

• Purity: 95%