2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(1-hydroxypropan-2-yl)-5-methoxybenzamide

• ChemBase ID: 532694
• Molecular Formular: C20H28N2O5
• Molecular Mass: 376.44672
• Monoisotopic Mass: 376.19982201
• SMILES: c1(C(=O)NC(CO)C)c(OC2CCN(C(=O)C3CC3)CC2)ccc(c1)OC
• Canonical SMILES: OCC(NC(=O)c1cc(OC)ccc1OC1CCN(CC1)C(=O)C1CC1)C
• InChI: InChI=1S/C20H28N2O5/c1-13(12-23)21-19(24)17-11-16(26-2)5-6-18(17)27-15-7-9-22(10-8-15)20(25)14-3-4-14/h5-6,11,13-15,23H,3-4,7-10,12H2,1-2H3,(H,21,24)
• InChIKey: GAZDHOKXMYEUJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(1-hydroxypropan-2-yl)-5-methoxybenzamide
• IUPAC Traditional name: 2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(1-hydroxypropan-2-yl)-5-methoxybenzamide
• Synonyms: 2-{[1-(cyclopropylcarbonyl)piperidin-4-yl]oxy}-N-(2-hydroxy-1-methylethyl)-5-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.786592
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.49218905
• LogD (pH = 7.4): 0.49218917
• Log P: 0.49218935
• Molar Refractivity: 100.7921 cm^3
• Polarizability: 38.87381 Å^3
• Polar Surface Area: 88.1 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.37
• LOG S: -2.26
• Polar Surface Area: 88.1 Å^2
• Rotatable Bonds: 7