N-benzyl-1-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperidine-4-carboxamide

• ChemBase ID: 826120
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: c1(nnc(o1)CCC)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1
• Canonical SMILES: CCCc1nnc(o1)C(=O)N1CCC(CC1)C(=O)NCc1ccccc1
• InChI: InChI=1S/C19H24N4O3/c1-2-6-16-21-22-18(26-16)19(25)23-11-9-15(10-12-23)17(24)20-13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,20,24)
• InChIKey: TWGXEBHUZOLZAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-1-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperidine-4-carboxamide
• IUPAC Traditional name: N-benzyl-1-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperidine-4-carboxamide
• Synonyms: N-benzyl-1-[(5-propyl-1,3,4-oxadiazol-2-yl)carbonyl]piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.71748
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1127093
• LogD (pH = 7.4): 1.1127093
• Log P: 1.1127093
• Molar Refractivity: 98.7146 cm^3
• Polarizability: 36.73268 Å^3
• Polar Surface Area: 88.33 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: 1.01
• LOG S: -2.66
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 6