1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxypropyl)piperidine

• ChemBase ID: 433114
• Molecular Formular: C13H23N3O2
• Molecular Mass: 253.34062
• Monoisotopic Mass: 253.17902699
• SMILES: c1(nc(on1)CC)N1CC(CCC1)CCCOC
• Canonical SMILES: COCCCC1CCCN(C1)c1noc(n1)CC
• InChI: InChI=1S/C13H23N3O2/c1-3-12-14-13(15-18-12)16-8-4-6-11(10-16)7-5-9-17-2/h11H,3-10H2,1-2H3
• InChIKey: ROUXVRNAQAIHFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxypropyl)piperidine
• IUPAC Traditional name: 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxypropyl)piperidine
• Synonyms: 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxypropyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.572625
• LogD (pH = 7.4): 2.572626
• Log P: 2.572626
• Molar Refractivity: 72.6118 cm^3
• Polarizability: 26.736557 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.04
• LOG S: -1.94
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 6