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

• ChemBase ID: 865574
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: c1(nc(on1)CC)N1CCC(CCN2C(=O)CCC2)CC1
• Canonical SMILES: CCc1onc(n1)N1CCC(CC1)CCN1CCCC1=O
• InChI: InChI=1S/C15H24N4O2/c1-2-13-16-15(17-21-13)19-10-6-12(7-11-19)5-9-18-8-3-4-14(18)20/h12H,2-11H2,1H3
• InChIKey: GONLZPNINFPOPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5696198
• LogD (pH = 7.4): 1.5696211
• Log P: 1.5696211
• Molar Refractivity: 82.2299 cm^3
• Polarizability: 30.225958 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.19
• LOG S: -2.81
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 5