N-(2-fluorophenyl)-3-(1-{[1-(3-methylphenyl)-1H-imidazol-2-yl]methyl}piperidin-3-yl)propanamide

• ChemBase ID: 664476
• Molecular Formular: C25H29FN4O
• Molecular Mass: 420.5223632
• Monoisotopic Mass: 420.23253979
• SMILES: c1(n(c2cc(ccc2)C)ccn1)CN1CC(CCC(=O)Nc2c(F)cccc2)CCC1
• Canonical SMILES: O=C(Nc1ccccc1F)CCC1CCCN(C1)Cc1nccn1c1cccc(c1)C
• InChI: InChI=1S/C25H29FN4O/c1-19-6-4-8-21(16-19)30-15-13-27-24(30)18-29-14-5-7-20(17-29)11-12-25(31)28-23-10-3-2-9-22(23)26/h2-4,6,8-10,13,15-16,20H,5,7,11-12,14,17-18H2,1H3,(H,28,31)
• InChIKey: LKPLFMDSJQEBSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluorophenyl)-3-(1-{[1-(3-methylphenyl)-1H-imidazol-2-yl]methyl}piperidin-3-yl)propanamide
• IUPAC Traditional name: N-(2-fluorophenyl)-3-(1-{[1-(3-methylphenyl)imidazol-2-yl]methyl}piperidin-3-yl)propanamide
• Synonyms: N-(2-fluorophenyl)-3-(1-{[1-(3-methylphenyl)-1H-imidazol-2-yl]methyl}-3-piperidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.974426
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.64566
• LogD (pH = 7.4): 4.2514696
• Log P: 4.6256332
• Molar Refractivity: 132.892 cm^3
• Polarizability: 46.990448 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.19
• LOG S: -5.65
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 7