1-cyclopentanecarbonyl-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide

• ChemBase ID: 501685
• Molecular Formular: C25H30N2O2
• Molecular Mass: 390.5179
• Monoisotopic Mass: 390.23072821
• SMILES: N1(C(=O)C2CCCC2)CCC(C(=O)Nc2ccc(c3cc(ccc3)C)cc2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)C1CCCC1)Nc1ccc(cc1)c1cccc(c1)C
• InChI: InChI=1S/C25H30N2O2/c1-18-5-4-8-22(17-18)19-9-11-23(12-10-19)26-24(28)20-13-15-27(16-14-20)25(29)21-6-2-3-7-21/h4-5,8-12,17,20-21H,2-3,6-7,13-16H2,1H3,(H,26,28)
• InChIKey: DKDIZUDVBKFMSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentanecarbonyl-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclopentanecarbonyl-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
• Synonyms: 1-(cyclopentylcarbonyl)-N-(3'-methyl-4-biphenylyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.993863
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.754056
• LogD (pH = 7.4): 4.7540565
• Log P: 4.7540565
• Molar Refractivity: 117.6971 cm^3
• Polarizability: 46.118847 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.68
• LOG S: -6.32
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4