N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-N-(2-methoxyethyl)cyclopentanecarboxamide

• ChemBase ID: 337723
• Molecular Formular: C22H33FN2O2
• Molecular Mass: 376.5080232
• Monoisotopic Mass: 376.25260653
• SMILES: C(=O)(N(CC1CCN(Cc2c(F)cccc2)CC1)CCOC)C1CCCC1
• Canonical SMILES: COCCN(C(=O)C1CCCC1)CC1CCN(CC1)Cc1ccccc1F
• InChI: InChI=1S/C22H33FN2O2/c1-27-15-14-25(22(26)19-6-2-3-7-19)16-18-10-12-24(13-11-18)17-20-8-4-5-9-21(20)23/h4-5,8-9,18-19H,2-3,6-7,10-17H2,1H3
• InChIKey: INVNQPXLHFSWRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-N-(2-methoxyethyl)cyclopentanecarboxamide
• IUPAC Traditional name: N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-N-(2-methoxyethyl)cyclopentanecarboxamide
• Synonyms: N-{[1-(2-fluorobenzyl)-4-piperidinyl]methyl}-N-(2-methoxyethyl)cyclopentanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.90384674
• LogD (pH = 7.4): 2.6704326
• Log P: 3.3936038
• Molar Refractivity: 107.0021 cm^3
• Polarizability: 41.411568 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: 3.7
• LOG S: -2.92
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7