4-[(1-acetylpiperidin-4-yl)oxy]-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide

• ChemBase ID: 561002
• Molecular Formular: C19H24N4O5
• Molecular Mass: 388.41766
• Monoisotopic Mass: 388.17466989
• SMILES: n1c(noc1C)CNC(=O)c1cc(c(OC2CCN(C(=O)C)CC2)cc1)OC
• Canonical SMILES: COc1cc(ccc1OC1CCN(CC1)C(=O)C)C(=O)NCc1noc(n1)C
• InChI: InChI=1S/C19H24N4O5/c1-12-21-18(22-28-12)11-20-19(25)14-4-5-16(17(10-14)26-3)27-15-6-8-23(9-7-15)13(2)24/h4-5,10,15H,6-9,11H2,1-3H3,(H,20,25)
• InChIKey: LLCSYBAFCLALTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-acetylpiperidin-4-yl)oxy]-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
• IUPAC Traditional name: 4-[(1-acetylpiperidin-4-yl)oxy]-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
• Synonyms: 4-[(1-acetylpiperidin-4-yl)oxy]-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.281754
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.16619435
• LogD (pH = 7.4): 0.16619447
• Log P: 0.16619453
• Molar Refractivity: 101.8619 cm^3
• Polarizability: 38.149925 Å^3
• Polar Surface Area: 106.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.05
• LOG S: -3.38
• Polar Surface Area: 106.79 Å^2
• Rotatable Bonds: 6