N-(1-cyclopentyl-1H-pyrazol-5-yl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide

• ChemBase ID: 761136
• Molecular Formular: C17H24N6O2
• Molecular Mass: 344.41146
• Monoisotopic Mass: 344.19607404
• SMILES: c1(NC(=O)N2CCC(c3nc(on3)C)CC2)n(ncc1)C1CCCC1
• Canonical SMILES: O=C(N1CCC(CC1)c1noc(n1)C)Nc1ccnn1C1CCCC1
• InChI: InChI=1S/C17H24N6O2/c1-12-19-16(21-25-12)13-7-10-22(11-8-13)17(24)20-15-6-9-18-23(15)14-4-2-3-5-14/h6,9,13-14H,2-5,7-8,10-11H2,1H3,(H,20,24)
• InChIKey: DMJCRKGJFVULII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cyclopentyl-1H-pyrazol-5-yl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(2-cyclopentylpyrazol-3-yl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
• Synonyms: N-(1-cyclopentyl-1H-pyrazol-5-yl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.21642
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8563828
• LogD (pH = 7.4): 1.8564434
• Log P: 1.8564448
• Molar Refractivity: 105.4384 cm^3
• Polarizability: 34.72725 Å^3
• Polar Surface Area: 89.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.07
• LOG S: -2.62
• Polar Surface Area: 89.08 Å^2
• Rotatable Bonds: 3