3-{2-[4-(2-methoxyphenyl)piperidin-1-yl]-2-oxoethyl}-5,5-dimethyl-1,3-oxazolidine-2,4-dione

• ChemBase编号: 743515
• 分子式: C19H24N2O5
• 平均质量: 360.40426
• 单一同位素质量: 360.16852188
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC(=O)N1CCC(c2c(OC)cccc2)CC1
• Canonical SMILES: COc1ccccc1C1CCN(CC1)C(=O)CN1C(=O)OC(C1=O)(C)C
• InChI: InChI=1S/C19H24N2O5/c1-19(2)17(23)21(18(24)26-19)12-16(22)20-10-8-13(9-11-20)14-6-4-5-7-15(14)25-3/h4-7,13H,8-12H2,1-3H3
• InChIKey: LUIYEUIOYQFALL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-{2-[4-(2-methoxyphenyl)piperidin-1-yl]-2-oxoethyl}-5,5-dimethyl-1,3-oxazolidine-2,4-dione
• IUPAC传统名: 3-{2-[4-(2-methoxyphenyl)piperidin-1-yl]-2-oxoethyl}-5,5-dimethyl-1,3-oxazolidine-2,4-dione
• 别名: 3-{2-[4-(2-methoxyphenyl)piperidin-1-yl]-2-oxoethyl}-5,5-dimethyl-1,3-oxazolidine-2,4-dione

理论计算性质

JChem

• Acid pKa: 16.090782
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.736057
• LogD (pH = 7.4): 1.736057
• Log P: 1.736057
• 摩尔折射率: 94.1492 cm^3
• 极化性: 36.723644 Å^3
• 极化表面积: 76.15 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 2.59
• LOG S: -4.04
• 极化表面积: 76.15 Å^2
• 可自由旋转的化学键: 4