1-(oxan-4-yl)-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine

• ChemBase ID: 321332
• Molecular Formular: C15H25N3O2
• Molecular Mass: 279.3779
• Monoisotopic Mass: 279.19467706
• SMILES: n1c(onc1C(C)C)C1CN(C2CCOCC2)CCC1
• Canonical SMILES: CC(c1noc(n1)C1CCCN(C1)C1CCOCC1)C
• InChI: InChI=1S/C15H25N3O2/c1-11(2)14-16-15(20-17-14)12-4-3-7-18(10-12)13-5-8-19-9-6-13/h11-13H,3-10H2,1-2H3
• InChIKey: HRKQYTJWCYWQQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(oxan-4-yl)-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine
• IUPAC Traditional name: 3-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)piperidine
• Synonyms: 3-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-(tetrahydro-2H-pyran-4-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.1129625
• LogD (pH = 7.4): 0.52108574
• Log P: 2.183626
• Molar Refractivity: 78.9884 cm^3
• Polarizability: 29.99305 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.14
• LOG S: -2.91
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 3