4-(1-{4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}-2-methylpropan-2-yl)morpholine

• ChemBase编号: 505584
• 分子式: C19H32N4O2
• 平均质量: 348.48298
• 单一同位素质量: 348.25252628
• SMILES: n1c(onc1CC1CCN(CC(N2CCOCC2)(C)C)CC1)C1CC1
• Canonical SMILES: CC(N1CCOCC1)(CN1CCC(CC1)Cc1noc(n1)C1CC1)C
• InChI: InChI=1S/C19H32N4O2/c1-19(2,23-9-11-24-12-10-23)14-22-7-5-15(6-8-22)13-17-20-18(25-21-17)16-3-4-16/h15-16H,3-14H2,1-2H3
• InChIKey: GQASJHHXTVYUJH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(1-{4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}-2-methylpropan-2-yl)morpholine
• IUPAC传统名: 4-(1-{4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}-2-methylpropan-2-yl)morpholine
• 别名: 4-(2-{4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}-1,1-dimethylethyl)morpholine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -1.4530448
• LogD (pH = 7.4): -0.10466014
• Log P: 2.1182418
• 摩尔折射率: 99.5904 cm^3
• 极化性: 38.150196 Å^3
• 极化表面积: 54.63 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 6
• 质子供体: 0
• Log P: 1.07
• LOG S: -1.65
• 极化表面积: 54.63 Å^2
• 可自由旋转的化学键: 6