4-{[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}morpholine

• ChemBase编号: 566202
• 分子式: C19H26N4O2
• 平均质量: 342.43534
• 单一同位素质量: 342.20557609
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN1CCOCC1)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1nc2n(c1CN1CCOCC1)cccc2C)N1CCCCC1
• InChI: InChI=1S/C19H26N4O2/c1-15-6-5-9-23-16(14-21-10-12-25-13-11-21)17(20-18(15)23)19(24)22-7-3-2-4-8-22/h5-6,9H,2-4,7-8,10-14H2,1H3
• InChIKey: AIBQFKVIFXLHNY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}morpholine
• IUPAC传统名: 4-{[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}morpholine
• 别名: 8-methyl-3-(4-morpholinylmethyl)-2-(1-piperidinylcarbonyl)imidazo[1,2-a]pyridine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.0596846
• LogD (pH = 7.4): 1.442189
• Log P: 1.4500772
• 摩尔折射率: 99.1141 cm^3
• 极化性: 37.069534 Å^3
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 1.45
• LOG S: -1.65
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 3