2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-methyl-N-(propan-2-yl)benzamide

• ChemBase编号: 826432
• 分子式: C22H34N2O3
• 平均质量: 374.51696
• 单一同位素质量: 374.25694296
• SMILES: c1(C(=O)N(C(C)C)C)c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)N(C(C)C)C)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C22H34N2O3/c1-16(2)23(3)22(25)20-15-19(26-4)9-10-21(20)27-18-11-13-24(14-12-18)17-7-5-6-8-17/h9-10,15-18H,5-8,11-14H2,1-4H3
• InChIKey: AHTBMLNZPWHSOW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-methyl-N-(propan-2-yl)benzamide
• IUPAC传统名: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-isopropyl-5-methoxy-N-methylbenzamide
• 别名: 2-[(1-cyclopentyl-4-piperidinyl)oxy]-N-isopropyl-5-methoxy-N-methylbenzamide

理论计算性质

JChem

• Log P: 3.1107867
• 摩尔折射率: 108.8879 cm^3
• 极化性: 42.204163 Å^3
• 极化表面积: 42.01 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.2619538
• LogD (pH = 7.4): 1.0589598

Provided by Chembridge

• Log P: 2.96
• LOG S: -3.75
• 极化表面积: 42.01 Å^2
• 可自由旋转的化学键: 4
• 质子受体: 4
• 质子供体: 0