4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]-N-phenylpiperidine-1-carboxamide

• ChemBase ID: 597707
• Molecular Formular: C21H30N4O2
• Molecular Mass: 370.4885
• Monoisotopic Mass: 370.23687622
• SMILES: C(=O)(N1CCC(N2CC(C(=O)NC3CC3)CCC2)CC1)Nc1ccccc1
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)C(=O)Nc1ccccc1)NC1CC1
• InChI: InChI=1S/C21H30N4O2/c26-20(22-18-8-9-18)16-5-4-12-25(15-16)19-10-13-24(14-11-19)21(27)23-17-6-2-1-3-7-17/h1-3,6-7,16,18-19H,4-5,8-15H2,(H,22,26)(H,23,27)
• InChIKey: DISJVSDIMDUZHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]-N-phenylpiperidine-1-carboxamide
• IUPAC Traditional name: 4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]-N-phenylpiperidine-1-carboxamide
• Synonyms: N~3~-cyclopropyl-N~1~'-phenyl-1,4'-bipiperidine-1',3-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.421636
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.9010882
• LogD (pH = 7.4): -0.55712444
• Log P: 1.462885
• Molar Refractivity: 107.0002 cm^3
• Polarizability: 40.833603 Å^3
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.77
• LOG S: -3.67
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 4