2-chloro-N-(1-cyclohexanecarbonylpiperidin-4-yl)acetamide

• ChemBase ID: 260670
• Molecular Formular: C14H23ClN2O2
• Molecular Mass: 286.79762
• Monoisotopic Mass: 286.14480567
• SMILES: N1(C(=O)C2CCCCC2)CCC(NC(=O)CCl)CC1
• Canonical SMILES: ClCC(=O)NC1CCN(CC1)C(=O)C1CCCCC1
• InChI: InChI=1S/C14H23ClN2O2/c15-10-13(18)16-12-6-8-17(9-7-12)14(19)11-4-2-1-3-5-11/h11-12H,1-10H2,(H,16,18)
• InChIKey: QTUXHTANRDIVIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(1-cyclohexanecarbonylpiperidin-4-yl)acetamide
• IUPAC Traditional name: 2-chloro-N-(1-cyclohexanecarbonylpiperidin-4-yl)acetamide
• Synonyms: 2-chloro-N-(1-cyclohexanecarbonylpiperidin-4-yl)acetamide

Database IDs

• MDL Number: MFCD17976962
• PubChem SID: 164316580
• PubChem CID: 50988896

CALCULATED PROPERTIES

• Acid pKa: 13.382972
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0979251
• LogD (pH = 7.4): 1.0979338
• Log P: 1.0979342
• Molar Refractivity: 75.0403 cm^3
• Polarizability: 29.341337 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133 - 135°C
• Hydrophobicity(logP): 0.224

Product Information

• Purity: 95%