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

• ChemBase ID: 535511
• Molecular Formular: C24H24FN3O2
• Molecular Mass: 405.4646632
• Monoisotopic Mass: 405.18525524
• SMILES: N1(C(C(=O)Nc2ccc(Oc3cnccc3)cc2)CCCC1)Cc1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)CN1CCCCC1C(=O)Nc1ccc(cc1)Oc1cccnc1
• InChI: InChI=1S/C24H24FN3O2/c25-19-6-3-5-18(15-19)17-28-14-2-1-8-23(28)24(29)27-20-9-11-21(12-10-20)30-22-7-4-13-26-16-22/h3-7,9-13,15-16,23H,1-2,8,14,17H2,(H,27,29)
• InChIKey: OYQPEFQPKQHVBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3-fluorophenyl)methyl]-N-[4-(pyridin-3-yloxy)phenyl]piperidine-2-carboxamide
• IUPAC Traditional name: 1-[(3-fluorophenyl)methyl]-N-[4-(pyridin-3-yloxy)phenyl]piperidine-2-carboxamide
• Synonyms: 1-(3-fluorobenzyl)-N-[4-(3-pyridinyloxy)phenyl]-2-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.690822
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9289918
• LogD (pH = 7.4): 4.2123146
• Log P: 4.314567
• Molar Refractivity: 115.1502 cm^3
• Polarizability: 43.8826 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.87
• LOG S: -4.44
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6