N-[(2-fluorophenyl)methyl]-2-[2-(2-methoxyethyl)piperidin-1-yl]acetamide

• ChemBase ID: 443760
• Molecular Formular: C17H25FN2O2
• Molecular Mass: 308.3910032
• Monoisotopic Mass: 308.19000627
• SMILES: N1(CC(=O)NCc2c(F)cccc2)C(CCOC)CCCC1
• Canonical SMILES: COCCC1CCCCN1CC(=O)NCc1ccccc1F
• InChI: InChI=1S/C17H25FN2O2/c1-22-11-9-15-7-4-5-10-20(15)13-17(21)19-12-14-6-2-3-8-16(14)18/h2-3,6,8,15H,4-5,7,9-13H2,1H3,(H,19,21)
• InChIKey: LONGAEVXTSBKER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-fluorophenyl)methyl]-2-[2-(2-methoxyethyl)piperidin-1-yl]acetamide
• IUPAC Traditional name: N-[(2-fluorophenyl)methyl]-2-[2-(2-methoxyethyl)piperidin-1-yl]acetamide
• Synonyms: N-(2-fluorobenzyl)-2-[2-(2-methoxyethyl)piperidin-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.824017
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6020392
• LogD (pH = 7.4): 1.163234
• Log P: 1.8751787
• Molar Refractivity: 85.3417 cm^3
• Polarizability: 32.942272 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.83
• LOG S: -3.86
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7