N-(2-oxopiperidin-3-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 417738
• Molecular Formular: C18H23N3O2
• Molecular Mass: 313.39412
• Monoisotopic Mass: 313.17902699
• SMILES: c1(c([nH]c2c1c(ccc2C)C)C)CC(=O)NC1C(=O)NCCC1
• Canonical SMILES: Cc1c(CC(=O)NC2CCCNC2=O)c2c([nH]1)c(C)ccc2C
• InChI: InChI=1S/C18H23N3O2/c1-10-6-7-11(2)17-16(10)13(12(3)20-17)9-15(22)21-14-5-4-8-19-18(14)23/h6-7,14,20H,4-5,8-9H2,1-3H3,(H,19,23)(H,21,22)
• InChIKey: ZMDNXRRBSRLEAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-oxopiperidin-3-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-(2-oxopiperidin-3-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-(2-oxo-3-piperidinyl)-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.020565
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 1.8653642
• LogD (pH = 7.4): 1.8653632
• Log P: 1.8653642
• Molar Refractivity: 90.4929 cm^3
• Polarizability: 35.39641 Å^3
• Polar Surface Area: 73.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 3
• Log P: 0.98
• LOG S: -2.32
• Polar Surface Area: 73.99 Å^2
• Rotatable Bonds: 3