3-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(2,2-dimethyloxan-4-yl)benzamide

• ChemBase ID: 835265
• Molecular Formular: C23H32N2O4
• Molecular Mass: 400.51118
• Monoisotopic Mass: 400.23620751
• SMILES: C(=O)(N1CCC(Oc2cc(C(=O)NC3CC(OCC3)(C)C)ccc2)CC1)C1CC1
• Canonical SMILES: O=C(N1CCC(CC1)Oc1cccc(c1)C(=O)NC1CCOC(C1)(C)C)C1CC1
• InChI: InChI=1S/C23H32N2O4/c1-23(2)15-18(10-13-28-23)24-21(26)17-4-3-5-20(14-17)29-19-8-11-25(12-9-19)22(27)16-6-7-16/h3-5,14,16,18-19H,6-13,15H2,1-2H3,(H,24,26)
• InChIKey: JMSLDQLKGBUJBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(2,2-dimethyloxan-4-yl)benzamide
• IUPAC Traditional name: 3-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(2,2-dimethyloxan-4-yl)benzamide
• Synonyms: 3-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.693562
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5817249
• LogD (pH = 7.4): 1.5817254
• Log P: 1.5817254
• Molar Refractivity: 111.1503 cm^3
• Polarizability: 43.02904 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.74
• LOG S: -5.08
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 5