1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]pyrrolidin-2-one

• ChemBase ID: 827782
• Molecular Formular: C14H22N4O2
• Molecular Mass: 278.35008
• Monoisotopic Mass: 278.17427596
• SMILES: c1(oc(nn1)CCC)N1CC(N2C(=O)CCC2)CCC1
• Canonical SMILES: CCCc1nnc(o1)N1CCCC(C1)N1CCCC1=O
• InChI: InChI=1S/C14H22N4O2/c1-2-5-12-15-16-14(20-12)17-8-3-6-11(10-17)18-9-4-7-13(18)19/h11H,2-10H2,1H3
• InChIKey: NIZPEOQWIHONDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9532545
• LogD (pH = 7.4): 0.953255
• Log P: 0.953255
• Molar Refractivity: 76.9509 cm^3
• Polarizability: 28.39979 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: 4
• H Donor: 0
• Log P: 0.14
• LOG S: -2.66
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4