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

• ChemBase编号: 465065
• 分子式: C18H32N4O3
• 平均质量: 352.47168
• 单一同位素质量: 352.2474409
• SMILES: c1(nc(no1)CCOC)C1N(CC(N2CCOCC2)(C)C)CCCC1
• Canonical SMILES: COCCc1noc(n1)C1CCCCN1CC(N1CCOCC1)(C)C
• InChI: InChI=1S/C18H32N4O3/c1-18(2,22-9-12-24-13-10-22)14-21-8-5-4-6-15(21)17-19-16(20-25-17)7-11-23-3/h15H,4-14H2,1-3H3
• InChIKey: DMLBMWXTMQMJCN-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): -0.8556451
• LogD (pH = 7.4): 0.92499065
• Log P: 1.6089492
• 摩尔折射率: 98.3589 cm^3
• 极化性: 37.8208 Å^3
• 极化表面积: 63.86 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 7
• 质子供体: 0
• Log P: 1.08
• LOG S: -1.68
• 极化表面积: 63.86 Å^2
• 可自由旋转的化学键: 7