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

• ChemBase ID: 314628
• Molecular Formular: C22H33FN2O
• Molecular Mass: 360.5086232
• Monoisotopic Mass: 360.25769191
• SMILES: C(=O)(N(CC1CN(CCc2cc(F)ccc2)CCC1)CC)C1CCCC1
• Canonical SMILES: CCN(C(=O)C1CCCC1)CC1CCCN(C1)CCc1cccc(c1)F
• InChI: InChI=1S/C22H33FN2O/c1-2-25(22(26)20-9-3-4-10-20)17-19-8-6-13-24(16-19)14-12-18-7-5-11-21(23)15-18/h5,7,11,15,19-20H,2-4,6,8-10,12-14,16-17H2,1H3
• InChIKey: IQFUHDDEQWIAPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.153214
• LogD (pH = 7.4): 2.8778212
• Log P: 4.127605
• Molar Refractivity: 105.3634 cm^3
• Polarizability: 40.642006 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.95
• LOG S: -4.17
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6