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

• ChemBase ID: 861522
• Molecular Formular: C17H28N4O3
• Molecular Mass: 336.42922
• Monoisotopic Mass: 336.21614078
• SMILES: n1c(C2CN(C(=O)CC2)CCCN2CCOCC2)onc1C(C)C
• Canonical SMILES: CC(c1noc(n1)C1CCC(=O)N(C1)CCCN1CCOCC1)C
• InChI: InChI=1S/C17H28N4O3/c1-13(2)16-18-17(24-19-16)14-4-5-15(22)21(12-14)7-3-6-20-8-10-23-11-9-20/h13-14H,3-12H2,1-2H3
• InChIKey: LCZCBBWYHLETFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(morpholin-4-yl)propyl]-5-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
• IUPAC Traditional name: 5-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-[3-(morpholin-4-yl)propyl]piperidin-2-one
• Synonyms: 5-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-[3-(4-morpholinyl)propyl]-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.24529308
• LogD (pH = 7.4): 1.0503298
• Log P: 1.1697812
• Molar Refractivity: 92.0974 cm^3
• Polarizability: 34.994537 Å^3
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.24
• LOG S: -3.17
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 6