N-[3-(4-fluorophenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-3-carboxamide

• ChemBase ID: 518306
• Molecular Formular: C25H24FN3O3
• Molecular Mass: 433.4747632
• Monoisotopic Mass: 433.18016986
• SMILES: C(=O)(N1CC(C(=O)Nc2cc(c3ccc(cc3)F)ccc2)CCC1)c1c(nccc1)OC
• Canonical SMILES: COc1ncccc1C(=O)N1CCCC(C1)C(=O)Nc1cccc(c1)c1ccc(cc1)F
• InChI: InChI=1S/C25H24FN3O3/c1-32-24-22(8-3-13-27-24)25(31)29-14-4-6-19(16-29)23(30)28-21-7-2-5-18(15-21)17-9-11-20(26)12-10-17/h2-3,5,7-13,15,19H,4,6,14,16H2,1H3,(H,28,30)
• InChIKey: XLJYTRYBYIPCFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-fluorophenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-[3-(4-fluorophenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-3-carboxamide
• Synonyms: N-(4'-fluoro-3-biphenylyl)-1-[(2-methoxy-3-pyridinyl)carbonyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.835078
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.9435356
• LogD (pH = 7.4): 3.9435985
• Log P: 3.9435995
• Molar Refractivity: 121.4074 cm^3
• Polarizability: 46.489998 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.39
• LOG S: -6.89
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 4