1-{1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}pyrrolidin-2-one

• ChemBase ID: 524365
• Molecular Formular: C15H22N4O2
• Molecular Mass: 290.36078
• Monoisotopic Mass: 290.17427596
• SMILES: c1(nnc(o1)CN1CCC(N2C(=O)CCC2)CC1)C1CC1
• Canonical SMILES: O=C1CCCN1C1CCN(CC1)Cc1nnc(o1)C1CC1
• InChI: InChI=1S/C15H22N4O2/c20-14-2-1-7-19(14)12-5-8-18(9-6-12)10-13-16-17-15(21-13)11-3-4-11/h11-12H,1-10H2
• InChIKey: ZXHYQWJMBIFVOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}pyrrolidin-2-one
• IUPAC Traditional name: 1-{1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}pyrrolidin-2-one
• Synonyms: 1-{1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}pyrrolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.7292325
• LogD (pH = 7.4): -0.7040781
• Log P: -0.6471869
• Molar Refractivity: 79.3108 cm^3
• Polarizability: 29.886839 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.13
• LOG S: -2.52
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4