N-[(4-fluorophenyl)(pyridin-4-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide

• ChemBase ID: 358742
• Molecular Formular: C23H24FN3O2
• Molecular Mass: 393.4539632
• Monoisotopic Mass: 393.18525524
• SMILES: N(C(=O)C1CCN(Cc2occc2)CC1)C(c1ccc(cc1)F)c1ccncc1
• Canonical SMILES: Fc1ccc(cc1)C(c1ccncc1)NC(=O)C1CCN(CC1)Cc1ccco1
• InChI: InChI=1S/C23H24FN3O2/c24-20-5-3-17(4-6-20)22(18-7-11-25-12-8-18)26-23(28)19-9-13-27(14-10-19)16-21-2-1-15-29-21/h1-8,11-12,15,19,22H,9-10,13-14,16H2,(H,26,28)
• InChIKey: KETNIYNQDGTTTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-fluorophenyl)(pyridin-4-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
• IUPAC Traditional name: N-[(4-fluorophenyl)(pyridin-4-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
• Synonyms: N-[(4-fluorophenyl)(4-pyridinyl)methyl]-1-(2-furylmethyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.227481
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.060813934
• LogD (pH = 7.4): 1.9363846
• Log P: 2.8984761
• Molar Refractivity: 109.0473 cm^3
• Polarizability: 41.865314 Å^3
• Polar Surface Area: 58.37 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: 2.23
• LOG S: -2.67
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 6