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

• ChemBase ID: 516225
• Molecular Formular: C19H21FN2O2
• Molecular Mass: 328.3806432
• Monoisotopic Mass: 328.15870614
• SMILES: C(=O)(N1CC(OC)CCC1)Nc1cc(c2ccc(cc2)F)ccc1
• Canonical SMILES: COC1CCCN(C1)C(=O)Nc1cccc(c1)c1ccc(cc1)F
• InChI: InChI=1S/C19H21FN2O2/c1-24-18-6-3-11-22(13-18)19(23)21-17-5-2-4-15(12-17)14-7-9-16(20)10-8-14/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,21,23)
• InChIKey: NBVZJKFUQWHBSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-fluorophenyl)phenyl]-3-methoxypiperidine-1-carboxamide
• IUPAC Traditional name: N-[3-(4-fluorophenyl)phenyl]-3-methoxypiperidine-1-carboxamide
• Synonyms: N-(4'-fluorobiphenyl-3-yl)-3-methoxypiperidine-1-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 2.67
• LOG S: -3.88
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• H Acceptors: 2
• H Donor: 1

JChem

• Molar Refractivity: 92.9984 cm^3
• Polarizability: 36.10235 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 13.266376
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5332792
• LogD (pH = 7.4): 3.5332785
• Log P: 3.5332792