N-(4-methoxyphenyl)-1-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-3-amine

• ChemBase编号: 354164
• 分子式: C21H24N4O2
• 平均质量: 364.44086
• 单一同位素质量: 364.18992603
• SMILES: c1(nc2n(c1)c(ccc2)C)C(=O)N1CC(Nc2ccc(cc2)OC)CCC1
• Canonical SMILES: COc1ccc(cc1)NC1CCCN(C1)C(=O)c1cn2c(n1)cccc2C
• InChI: InChI=1S/C21H24N4O2/c1-15-5-3-7-20-23-19(14-25(15)20)21(26)24-12-4-6-17(13-24)22-16-8-10-18(27-2)11-9-16/h3,5,7-11,14,17,22H,4,6,12-13H2,1-2H3
• InChIKey: ZYVAVYMNZDHNSD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(4-methoxyphenyl)-1-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-3-amine
• IUPAC传统名: N-(4-methoxyphenyl)-1-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-3-amine
• 别名: N-(4-methoxyphenyl)-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-3-piperidinamine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 1.8568679
• LogD (pH = 7.4): 2.2181568
• Log P: 2.2253458
• 摩尔折射率: 107.5431 cm^3
• 极化性: 39.622395 Å^3
• 极化表面积: 58.87 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 3.01
• LOG S: -5.28
• 极化表面积: 58.87 Å^2
• 可自由旋转的化学键: 3