2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxy-N-methyl-N-(oxolan-3-yl)benzamide

• ChemBase编号: 456755
• 分子式: C22H30N2O5
• 平均质量: 402.484
• 单一同位素质量: 402.21547207
• SMILES: c1(C(=O)N(C2CCOC2)C)c(OC2CCN(C(=O)C3CC3)CC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)N(C1COCC1)C)OC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C22H30N2O5/c1-23(16-9-12-28-14-16)22(26)19-13-18(27-2)5-6-20(19)29-17-7-10-24(11-8-17)21(25)15-3-4-15/h5-6,13,15-17H,3-4,7-12,14H2,1-2H3
• InChIKey: WHUQHOFQZCPHER-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxy-N-methyl-N-(oxolan-3-yl)benzamide
• IUPAC传统名: 2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxy-N-methyl-N-(oxolan-3-yl)benzamide
• 别名: 2-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-5-methoxy-N-methyl-N-(tetrahydro-3-furanyl)benzamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 0.89061844
• LogD (pH = 7.4): 0.89061874
• Log P: 0.89061874
• 摩尔折射率: 108.5878 cm^3
• 极化性: 41.893463 Å^3
• 极化表面积: 68.31 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: 5
• 质子供体: 0
• Log P: 0.12
• LOG S: -2.21
• 极化表面积: 68.31 Å^2
• 可自由旋转的化学键: 5