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

• ChemBase ID: 655001
• Molecular Formular: C24H28N2O2
• Molecular Mass: 376.49132
• Monoisotopic Mass: 376.21507815
• SMILES: N1(C(=O)C2CCC2)CC(C(=O)Nc2cc(c3cc(ccc3)C)ccc2)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)C1CCC1)Nc1cccc(c1)c1cccc(c1)C
• InChI: InChI=1S/C24H28N2O2/c1-17-6-2-9-19(14-17)20-10-4-12-22(15-20)25-23(27)21-11-5-13-26(16-21)24(28)18-7-3-8-18/h2,4,6,9-10,12,14-15,18,21H,3,5,7-8,11,13,16H2,1H3,(H,25,27)
• InChIKey: WCWJMZITBWQCNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.834167
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.465395
• LogD (pH = 7.4): 4.4653955
• Log P: 4.4653955
• Molar Refractivity: 112.9421 cm^3
• Polarizability: 44.274105 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: 4.29
• LOG S: -5.93
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4