N-({1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl}methyl)-3-methoxy-N-methylpropanamide

• ChemBase ID: 553588
• Molecular Formular: C19H29FN2O2
• Molecular Mass: 336.4441632
• Monoisotopic Mass: 336.2213064
• SMILES: C(=O)(N(CC1CCN(CCc2c(F)cccc2)CC1)C)CCOC
• Canonical SMILES: COCCC(=O)N(CC1CCN(CC1)CCc1ccccc1F)C
• InChI: InChI=1S/C19H29FN2O2/c1-21(19(23)10-14-24-2)15-16-7-11-22(12-8-16)13-9-17-5-3-4-6-18(17)20/h3-6,16H,7-15H2,1-2H3
• InChIKey: JXZCUHWFPBDILI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl}methyl)-3-methoxy-N-methylpropanamide
• IUPAC Traditional name: N-({1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl}methyl)-3-methoxy-N-methylpropanamide
• Synonyms: N-({1-[2-(2-fluorophenyl)ethyl]-4-piperidinyl}methyl)-3-methoxy-N-methylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7893974
• LogD (pH = 7.4): 0.953303
• Log P: 2.123198
• Molar Refractivity: 95.2652 cm^3
• Polarizability: 36.546963 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.37
• LOG S: -2.19
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7