N-(4-{[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl}phenyl)acetamide

• ChemBase ID: 777230
• Molecular Formular: C20H25N3O2
• Molecular Mass: 339.4314
• Monoisotopic Mass: 339.19467706
• SMILES: N1(Cc2ccc(NC(=O)C)cc2)CC(OCc2cnccc2)CCC1
• Canonical SMILES: CC(=O)Nc1ccc(cc1)CN1CCCC(C1)OCc1cccnc1
• InChI: InChI=1S/C20H25N3O2/c1-16(24)22-19-8-6-17(7-9-19)13-23-11-3-5-20(14-23)25-15-18-4-2-10-21-12-18/h2,4,6-10,12,20H,3,5,11,13-15H2,1H3,(H,22,24)
• InChIKey: PQBNXONUCREODU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-{[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl}phenyl)acetamide
• IUPAC Traditional name: N-(4-{[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl}phenyl)acetamide
• Synonyms: N-(4-{[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl}phenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.355079
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.7615849
• LogD (pH = 7.4): 1.0356108
• Log P: 2.0777426
• Molar Refractivity: 100.1741 cm^3
• Polarizability: 38.276943 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: 1.34
• LOG S: -1.52
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6