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

• ChemBase ID: 535445
• Molecular Formular: C20H23FN2O2
• Molecular Mass: 342.4072232
• Monoisotopic Mass: 342.17435621
• SMILES: C(=O)(N1C(COC)CCCC1)Nc1ccc(c2cc(F)ccc2)cc1
• Canonical SMILES: COCC1CCCCN1C(=O)Nc1ccc(cc1)c1cccc(c1)F
• InChI: InChI=1S/C20H23FN2O2/c1-25-14-19-7-2-3-12-23(19)20(24)22-18-10-8-15(9-11-18)16-5-4-6-17(21)13-16/h4-6,8-11,13,19H,2-3,7,12,14H2,1H3,(H,22,24)
• InChIKey: MBLZPTLPNCCNME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(3-fluorophenyl)phenyl]-2-(methoxymethyl)piperidine-1-carboxamide
• IUPAC Traditional name: N-[4-(3-fluorophenyl)phenyl]-2-(methoxymethyl)piperidine-1-carboxamide
• Synonyms: N-(3'-fluorobiphenyl-4-yl)-2-(methoxymethyl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.33045
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.9778478
• LogD (pH = 7.4): 3.9778473
• Log P: 3.9778478
• Molar Refractivity: 97.5994 cm^3
• Polarizability: 37.94608 Å^3
• Polar Surface Area: 41.57 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: 3.59
• LOG S: -4.76
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4