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

• ChemBase ID: 669241
• Molecular Formular: C20H26N4O4
• Molecular Mass: 386.44484
• Monoisotopic Mass: 386.19540533
• SMILES: n1c(onc1CNC(=O)c1cc(c(OC2CCN(CC2)C)cc1)OC)C1CC1
• Canonical SMILES: COc1cc(ccc1OC1CCN(CC1)C)C(=O)NCc1noc(n1)C1CC1
• InChI: InChI=1S/C20H26N4O4/c1-24-9-7-15(8-10-24)27-16-6-5-14(11-17(16)26-2)19(25)21-12-18-22-20(28-23-18)13-3-4-13/h5-6,11,13,15H,3-4,7-10,12H2,1-2H3,(H,21,25)
• InChIKey: RIRKQYJDNYYGLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.27943
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.2881126
• LogD (pH = 7.4): 0.49730605
• Log P: 1.5683148
• Molar Refractivity: 104.9899 cm^3
• Polarizability: 39.516087 Å^3
• Polar Surface Area: 89.72 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.62
• LOG S: -2.55
• Polar Surface Area: 89.72 Å^2
• Rotatable Bonds: 7