4-{5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridin-2-yl}morpholine

• ChemBase编号: 531860
• 分子式: C20H24N4O3
• 平均质量: 368.42956
• 单一同位素质量: 368.18484065
• SMILES: C(=O)(N1CCC(CC1)Oc1cnccc1)c1cnc(N2CCOCC2)cc1
• Canonical SMILES: O=C(c1ccc(nc1)N1CCOCC1)N1CCC(CC1)Oc1cccnc1
• InChI: InChI=1S/C20H24N4O3/c25-20(16-3-4-19(22-14-16)23-10-12-26-13-11-23)24-8-5-17(6-9-24)27-18-2-1-7-21-15-18/h1-4,7,14-15,17H,5-6,8-13H2
• InChIKey: MZRFOEMRSIBNLT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridin-2-yl}morpholine
• IUPAC传统名: 4-{5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridin-2-yl}morpholine
• 别名: 4-(5-{[4-(pyridin-3-yloxy)piperidin-1-yl]carbonyl}pyridin-2-yl)morpholine

理论计算性质

Provided by Chembridge

• Log P: 0.42
• LOG S: -2.25
• 极化表面积: 67.79 Å^2
• 可自由旋转的化学键: 4
• 质子受体: 5
• 质子供体: 0

JChem

• 摩尔折射率: 102.4168 cm^3
• 极化性: 38.605762 Å^3
• 极化表面积: 67.79 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true
• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 0.82439566
• LogD (pH = 7.4): 0.97005415
• Log P: 0.97210556