4-{3-[(1-cyclopentanecarbonylpiperidin-4-yl)oxy]benzoyl}morpholine

• ChemBase编号: 447275
• 分子式: C22H30N2O4
• 平均质量: 386.4846
• 单一同位素质量: 386.22055745
• SMILES: C(=O)(N1CCOCC1)c1cc(OC2CCN(C(=O)C3CCCC3)CC2)ccc1
• Canonical SMILES: O=C(N1CCC(CC1)Oc1cccc(c1)C(=O)N1CCOCC1)C1CCCC1
• InChI: InChI=1S/C22H30N2O4/c25-21(17-4-1-2-5-17)23-10-8-19(9-11-23)28-20-7-3-6-18(16-20)22(26)24-12-14-27-15-13-24/h3,6-7,16-17,19H,1-2,4-5,8-15H2
• InChIKey: ICYSZXVZSNJWFC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{3-[(1-cyclopentanecarbonylpiperidin-4-yl)oxy]benzoyl}morpholine
• IUPAC传统名: 4-{3-[(1-cyclopentanecarbonylpiperidin-4-yl)oxy]benzoyl}morpholine
• 别名: 4-(3-{[1-(cyclopentylcarbonyl)-4-piperidinyl]oxy}benzoyl)morpholine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.8176997
• LogD (pH = 7.4): 1.8177005
• Log P: 1.8177005
• 摩尔折射率: 106.791 cm^3
• 极化性: 41.191467 Å^3
• 极化表面积: 59.08 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: 4
• 质子供体: 0
• Log P: 1.12
• LOG S: -2.74
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 4