N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N-methylcyclopentanecarboxamide

• ChemBase ID: 676474
• Molecular Formular: C19H27FN2O
• Molecular Mass: 318.4288832
• Monoisotopic Mass: 318.21074171
• SMILES: C(=O)(N(C1CN(Cc2c(F)cccc2)CCC1)C)C1CCCC1
• Canonical SMILES: O=C(N(C1CCCN(C1)Cc1ccccc1F)C)C1CCCC1
• InChI: InChI=1S/C19H27FN2O/c1-21(19(23)15-7-2-3-8-15)17-10-6-12-22(14-17)13-16-9-4-5-11-18(16)20/h4-5,9,11,15,17H,2-3,6-8,10,12-14H2,1H3
• InChIKey: QWGWDWDNOHICJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N-methylcyclopentanecarboxamide
• IUPAC Traditional name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N-methylcyclopentanecarboxamide
• Synonyms: N-[1-(2-fluorobenzyl)-3-piperidinyl]-N-methylcyclopentanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5227975
• LogD (pH = 7.4): 3.1260433
• Log P: 3.4373815
• Molar Refractivity: 90.9198 cm^3
• Polarizability: 35.19164 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.85
• LOG S: -2.43
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4