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

• ChemBase ID: 322473
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: n1c(noc1C1CC1)c1ccc(C(=O)NCC2CN(CCC2)C)cc1
• Canonical SMILES: CN1CCCC(C1)CNC(=O)c1ccc(cc1)c1noc(n1)C1CC1
• InChI: InChI=1S/C19H24N4O2/c1-23-10-2-3-13(12-23)11-20-18(24)15-6-4-14(5-7-15)17-21-19(25-22-17)16-8-9-16/h4-7,13,16H,2-3,8-12H2,1H3,(H,20,24)
• InChIKey: SWGHOKSEAMNTDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.295497
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.6054511
• LogD (pH = 7.4): 1.0898333
• Log P: 2.5932012
• Molar Refractivity: 108.0705 cm^3
• Polarizability: 36.9534 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.55
• LOG S: -3.86
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 5