4-(3-{3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2,2-dimethylpropyl)morpholine

• ChemBase编号: 383717
• 分子式: C19H34N4O3
• 平均质量: 366.49826
• 单一同位素质量: 366.26309097
• SMILES: n1c(onc1CCOC)C1CN(CC(CN2CCOCC2)(C)C)CCC1
• Canonical SMILES: COCCc1noc(n1)C1CCCN(C1)CC(CN1CCOCC1)(C)C
• InChI: InChI=1S/C19H34N4O3/c1-19(2,14-22-8-11-25-12-9-22)15-23-7-4-5-16(13-23)18-20-17(21-26-18)6-10-24-3/h16H,4-15H2,1-3H3
• InChIKey: CHPSCRXIPCCZGA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(3-{3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2,2-dimethylpropyl)morpholine
• IUPAC传统名: 4-(3-{3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2,2-dimethylpropyl)morpholine
• 别名: 4-(3-{3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}-2,2-dimethylpropyl)morpholine

理论计算性质

JChem

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): -2.1164396
• LogD (pH = 7.4): 0.14860086
• Log P: 1.8426046
• 摩尔折射率: 103.1826 cm^3
• 极化性: 39.58172 Å^3
• 极化表面积: 63.86 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 7
• 质子供体: 0
• Log P: 1.1
• LOG S: -1.8
• 极化表面积: 63.86 Å^2
• 可自由旋转的化学键: 8