N-{[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl}-2-(2-oxopiperidin-1-yl)acetamide

• ChemBase ID: 710902
• Molecular Formular: C23H24FN3O2
• Molecular Mass: 393.4539632
• Monoisotopic Mass: 393.18525524
• SMILES: c1([nH]c2c(c1C)cc(CNC(=O)CN1C(=O)CCCC1)cc2)c1c(F)cccc1
• Canonical SMILES: O=C(CN1CCCCC1=O)NCc1ccc2c(c1)c(C)c([nH]2)c1ccccc1F
• InChI: InChI=1S/C23H24FN3O2/c1-15-18-12-16(13-25-21(28)14-27-11-5-4-8-22(27)29)9-10-20(18)26-23(15)17-6-2-3-7-19(17)24/h2-3,6-7,9-10,12,26H,4-5,8,11,13-14H2,1H3,(H,25,28)
• InChIKey: CGGAERUDVGBQOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl}-2-(2-oxopiperidin-1-yl)acetamide
• IUPAC Traditional name: N-{[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl}-2-(2-oxopiperidin-1-yl)acetamide
• Synonyms: N-{[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl}-2-(2-oxopiperidin-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.842852
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.029937
• LogD (pH = 7.4): 3.029937
• Log P: 3.029937
• Molar Refractivity: 110.5295 cm^3
• Polarizability: 44.307365 Å^3
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.72
• LOG S: -5.25
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 5