2-[(1-acetylpiperidin-4-yl)oxy]-N-(furan-2-ylmethyl)-5-methoxybenzamide

• ChemBase ID: 589159
• Molecular Formular: C20H24N2O5
• Molecular Mass: 372.41496
• Monoisotopic Mass: 372.16852188
• SMILES: c1(C(=O)NCc2occc2)c(OC2CCN(C(=O)C)CC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)NCc1ccco1)OC1CCN(CC1)C(=O)C
• InChI: InChI=1S/C20H24N2O5/c1-14(23)22-9-7-15(8-10-22)27-19-6-5-16(25-2)12-18(19)20(24)21-13-17-4-3-11-26-17/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,21,24)
• InChIKey: QIKCFVMLOZXCKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-acetylpiperidin-4-yl)oxy]-N-(furan-2-ylmethyl)-5-methoxybenzamide
• IUPAC Traditional name: 2-[(1-acetylpiperidin-4-yl)oxy]-N-(furan-2-ylmethyl)-5-methoxybenzamide
• Synonyms: 2-[(1-acetyl-4-piperidinyl)oxy]-N-(2-furylmethyl)-5-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.492836
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7706398
• LogD (pH = 7.4): 0.77063954
• Log P: 0.7706399
• Molar Refractivity: 99.6853 cm^3
• Polarizability: 38.072384 Å^3
• Polar Surface Area: 81.01 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.82
• LOG S: -3.34
• Polar Surface Area: 81.01 Å^2
• Rotatable Bonds: 5