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

• ChemBase ID: 361807
• Molecular Formular: C24H27FN2O2
• Molecular Mass: 394.4817832
• Monoisotopic Mass: 394.20565633
• SMILES: N1(C(=O)C2CCCC2)CC(C(=O)Nc2cc(c3ccc(cc3)F)ccc2)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)C1CCCC1)Nc1cccc(c1)c1ccc(cc1)F
• InChI: InChI=1S/C24H27FN2O2/c25-21-12-10-17(11-13-21)19-7-3-9-22(15-19)26-23(28)20-8-4-14-27(16-20)24(29)18-5-1-2-6-18/h3,7,9-13,15,18,20H,1-2,4-6,8,14,16H2,(H,26,28)
• InChIKey: MVLDJRWWJQGDGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.835087
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.5392437
• LogD (pH = 7.4): 4.5392447
• Log P: 4.5392447
• Molar Refractivity: 112.7183 cm^3
• Polarizability: 43.96506 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: 4.55
• LOG S: -5.99
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4