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

• ChemBase编号: 474046
• 分子式: C21H28N2O4
• 平均质量: 372.45802
• 单一同位素质量: 372.20490739
• SMILES: C(=O)(N(C1CCOC1)C)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
• Canonical SMILES: O=C(N1CCC(CC1)Oc1ccc(cc1)C(=O)N(C1COCC1)C)C1CC1
• InChI: InChI=1S/C21H28N2O4/c1-22(17-10-13-26-14-17)20(24)15-4-6-18(7-5-15)27-19-8-11-23(12-9-19)21(25)16-2-3-16/h4-7,16-17,19H,2-3,8-14H2,1H3
• InChIKey: GMAMCEPMSDEXBJ-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.0482897
• LogD (pH = 7.4): 1.04829
• Log P: 1.04829
• 摩尔折射率: 102.1246 cm^3
• 极化性: 39.354324 Å^3
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 0.09
• LOG S: -2.43
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 5