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

• ChemBase ID: 553867
• Molecular Formular: C16H23FN2O2
• Molecular Mass: 294.3644232
• Monoisotopic Mass: 294.17435621
• SMILES: N1(Cc2c(F)cccc2)CC(CNC(=O)COC)CCC1
• Canonical SMILES: COCC(=O)NCC1CCCN(C1)Cc1ccccc1F
• InChI: InChI=1S/C16H23FN2O2/c1-21-12-16(20)18-9-13-5-4-8-19(10-13)11-14-6-2-3-7-15(14)17/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,18,20)
• InChIKey: WJBPSIURKSOSSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.1
• LOG S: -2.29
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6

JChem

• H Donor: 1
• LogD (pH = 5.5): -1.1056209
• LogD (pH = 7.4): 0.66378134
• Log P: 1.4154048
• Molar Refractivity: 80.8153 cm^3
• Polarizability: 31.105574 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 14.71572
• H Acceptors: 3