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

• ChemBase ID: 681931
• Molecular Formular: C22H33FN2O
• Molecular Mass: 360.5086232
• Monoisotopic Mass: 360.25769191
• SMILES: C(=O)(N(CC1CN(CCc2c(F)cccc2)CCC1)C)C1CCCCC1
• Canonical SMILES: O=C(N(CC1CCCN(C1)CCc1ccccc1F)C)C1CCCCC1
• InChI: InChI=1S/C22H33FN2O/c1-24(22(26)20-10-3-2-4-11-20)16-18-8-7-14-25(17-18)15-13-19-9-5-6-12-21(19)23/h5-6,9,12,18,20H,2-4,7-8,10-11,13-17H2,1H3
• InChIKey: MIKBZTLKAKFARR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2263088
• LogD (pH = 7.4): 2.9458125
• Log P: 4.215366
• Molar Refractivity: 105.2158 cm^3
• Polarizability: 40.643375 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.98
• LOG S: -4.1
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6