4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(dicyclopropylmethyl)benzamide

• ChemBase编号: 528111
• 分子式: C23H30N2O3
• 平均质量: 382.4959
• 单一同位素质量: 382.22564283
• SMILES: N(C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)C(C1CC1)C1CC1
• Canonical SMILES: O=C(c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1)NC(C1CC1)C1CC1
• InChI: InChI=1S/C23H30N2O3/c26-22(24-21(15-1-2-15)16-3-4-16)17-7-9-19(10-8-17)28-20-11-13-25(14-12-20)23(27)18-5-6-18/h7-10,15-16,18,20-21H,1-6,11-14H2,(H,24,26)
• InChIKey: SVEORYMUXYYYRU-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 15.149258
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.5443087
• LogD (pH = 7.4): 2.5443091
• Log P: 2.5443091
• 摩尔折射率: 107.172 cm^3
• 极化性: 41.598198 Å^3
• 极化表面积: 58.64 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: 3
• 质子供体: 1
• Log P: 1.8
• LOG S: -5.35
• 极化表面积: 58.64 Å^2
• 可自由旋转的化学键: 7