N-cyclohexyl-4-[2-(phenylcarbamoyl)ethyl]piperidine-1-carboxamide

• ChemBase ID: 491355
• Molecular Formular: C21H31N3O2
• Molecular Mass: 357.48974
• Monoisotopic Mass: 357.24162725
• SMILES: C(=O)(N1CCC(CC1)CCC(=O)Nc1ccccc1)NC1CCCCC1
• Canonical SMILES: O=C(Nc1ccccc1)CCC1CCN(CC1)C(=O)NC1CCCCC1
• InChI: InChI=1S/C21H31N3O2/c25-20(22-18-7-3-1-4-8-18)12-11-17-13-15-24(16-14-17)21(26)23-19-9-5-2-6-10-19/h1,3-4,7-8,17,19H,2,5-6,9-16H2,(H,22,25)(H,23,26)
• InChIKey: VTDHJRUZSLEZRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-4-[2-(phenylcarbamoyl)ethyl]piperidine-1-carboxamide
• IUPAC Traditional name: N-cyclohexyl-4-[2-(phenylcarbamoyl)ethyl]piperidine-1-carboxamide
• Synonyms: 4-(3-anilino-3-oxopropyl)-N-cyclohexyl-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.173584
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.2470467
• LogD (pH = 7.4): 3.2470474
• Log P: 3.2470477
• Molar Refractivity: 104.6822 cm^3
• Polarizability: 40.034573 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.8
• LOG S: -5.83
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5