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

• ChemBase ID: 652918
• Molecular Formular: C17H26N4O3
• Molecular Mass: 334.41334
• Monoisotopic Mass: 334.20049071
• SMILES: n1c(noc1C)CC1CCN(C(=O)C2CN(C(=O)CC2)CC)CC1
• Canonical SMILES: CCN1CC(CCC1=O)C(=O)N1CCC(CC1)Cc1noc(n1)C
• InChI: InChI=1S/C17H26N4O3/c1-3-20-11-14(4-5-16(20)22)17(23)21-8-6-13(7-9-21)10-15-18-12(2)24-19-15/h13-14H,3-11H2,1-2H3
• InChIKey: USKLTPORYADDOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.48137218
• LogD (pH = 7.4): 0.4813732
• Log P: 0.48137322
• Molar Refractivity: 90.2582 cm^3
• Polarizability: 33.934452 Å^3
• Polar Surface Area: 79.54 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: 0.19
• LOG S: -3.11
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 4