N1-(6-fluoropyridin-3-yl)-N4-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide

• ChemBase ID: 541493
• Molecular Formular: C20H23FN4O3
• Molecular Mass: 386.4200232
• Monoisotopic Mass: 386.17541884
• SMILES: C(=O)(N1CCC(C(=O)NCc2ccc(cc2)OC)CC1)Nc1cnc(F)cc1
• Canonical SMILES: COc1ccc(cc1)CNC(=O)C1CCN(CC1)C(=O)Nc1ccc(nc1)F
• InChI: InChI=1S/C20H23FN4O3/c1-28-17-5-2-14(3-6-17)12-23-19(26)15-8-10-25(11-9-15)20(27)24-16-4-7-18(21)22-13-16/h2-7,13,15H,8-12H2,1H3,(H,23,26)(H,24,27)
• InChIKey: YUWYMVZFDQWKNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N1-(6-fluoropyridin-3-yl)-N4-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide
• IUPAC Traditional name: N1-(6-fluoropyridin-3-yl)-N4-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide
• Synonyms: N~1~-(6-fluoropyridin-3-yl)-N~4~-(4-methoxybenzyl)piperidine-1,4-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.246458
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.7003688
• LogD (pH = 7.4): 1.700363
• Log P: 1.7003689
• Molar Refractivity: 104.6419 cm^3
• Polarizability: 38.801914 Å^3
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.09
• LOG S: -2.95
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 5