N,1-dimethyl-N-{[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}piperidin-4-amine

• ChemBase编号: 514792
• 分子式: C20H29N5O2
• 平均质量: 371.47656
• 单一同位素质量: 371.23212519
• SMILES: c1(c(n2c(n1)cccc2)CN(C1CCN(CC1)C)C)C(=O)N1CCOCC1
• Canonical SMILES: CN1CCC(CC1)N(Cc1c(nc2n1cccc2)C(=O)N1CCOCC1)C
• InChI: InChI=1S/C20H29N5O2/c1-22-9-6-16(7-10-22)23(2)15-17-19(20(26)24-11-13-27-14-12-24)21-18-5-3-4-8-25(17)18/h3-5,8,16H,6-7,9-15H2,1-2H3
• InChIKey: FCJQJKKIJNXLGA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,1-dimethyl-N-{[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}piperidin-4-amine
• IUPAC传统名: N,1-dimethyl-N-{[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}piperidin-4-amine
• 别名: N,1-dimethyl-N-{[2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}piperidin-4-amine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -4.3780093
• LogD (pH = 7.4): -1.8772008
• Log P: 0.11309574
• 摩尔折射率: 107.382 cm^3
• 极化性: 40.513836 Å^3
• 极化表面积: 53.32 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: 5
• 质子供体: 0
• Log P: -0.21
• LOG S: -3.04
• 极化表面积: 53.32 Å^2
• 可自由旋转的化学键: 4