N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 834388
• Molecular Formular: C24H24FN3O
• Molecular Mass: 389.4652632
• Monoisotopic Mass: 389.19034062
• SMILES: C(=O)(C1CN(Cc2ncccc2)CCC1)Nc1ccc(c2cc(F)ccc2)cc1
• Canonical SMILES: Fc1cccc(c1)c1ccc(cc1)NC(=O)C1CCCN(C1)Cc1ccccn1
• InChI: InChI=1S/C24H24FN3O/c25-21-7-3-5-19(15-21)18-9-11-22(12-10-18)27-24(29)20-6-4-14-28(16-20)17-23-8-1-2-13-26-23/h1-3,5,7-13,15,20H,4,6,14,16-17H2,(H,27,29)
• InChIKey: VTGKECSOVZGDFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
• Synonyms: N-(3'-fluoro-4-biphenylyl)-1-(2-pyridinylmethyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.9189
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0544252
• LogD (pH = 7.4): 3.7581754
• Log P: 4.2316895
• Molar Refractivity: 113.7794 cm^3
• Polarizability: 44.518593 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.39
• LOG S: -5.35
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5