2-{imidazo[1,2-a]pyridin-3-yl}-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide

• ChemBase编号: 644490
• 分子式: C23H28N4O
• 平均质量: 376.49462
• 单一同位素质量: 376.22631154
• SMILES: n12c(CC(=O)N(CCc3ccccc3)C3CCN(CC3)C)cnc1cccc2
• Canonical SMILES: CN1CCC(CC1)N(C(=O)Cc1cnc2n1cccc2)CCc1ccccc1
• InChI: InChI=1S/C23H28N4O/c1-25-14-11-20(12-15-25)27(16-10-19-7-3-2-4-8-19)23(28)17-21-18-24-22-9-5-6-13-26(21)22/h2-9,13,18,20H,10-12,14-17H2,1H3
• InChIKey: NLEPVSHHIBNDCW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{imidazo[1,2-a]pyridin-3-yl}-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
• IUPAC传统名: 2-{imidazo[1,2-a]pyridin-3-yl}-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
• 别名: 2-imidazo[1,2-a]pyridin-3-yl-N-(1-methyl-4-piperidinyl)-N-(2-phenylethyl)acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -1.52473
• LogD (pH = 7.4): 0.87924856
• Log P: 1.9976488
• 摩尔折射率: 113.5558 cm^3
• 极化性: 43.312626 Å^3
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.88
• LOG S: -4.4
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 6