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

• ChemBase ID: 826723
• Molecular Formular: C15H21FN2O2
• Molecular Mass: 280.3378432
• Monoisotopic Mass: 280.15870614
• SMILES: N1(Cc2c(F)cccc2)CC(NC(=O)COC)CCC1
• Canonical SMILES: COCC(=O)NC1CCCN(C1)Cc1ccccc1F
• InChI: InChI=1S/C15H21FN2O2/c1-20-11-15(19)17-13-6-4-8-18(10-13)9-12-5-2-3-7-14(12)16/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,17,19)
• InChIKey: DPXOMLCCHFOFMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.488799
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.29535568
• LogD (pH = 7.4): 1.1722534
• Log P: 1.3706503
• Molar Refractivity: 75.8753 cm^3
• Polarizability: 29.269941 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.03
• LOG S: -1.25
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4