4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-{[5-(oxan-2-yl)thiophen-2-yl]methyl}piperidine

• ChemBase ID: 571968
• Molecular Formular: C19H27N3O2S
• Molecular Mass: 361.50158
• Monoisotopic Mass: 361.18239812
• SMILES: n1c(noc1C)CC1CCN(Cc2sc(cc2)C2OCCCC2)CC1
• Canonical SMILES: Cc1onc(n1)CC1CCN(CC1)Cc1ccc(s1)C1CCCCO1
• InChI: InChI=1S/C19H27N3O2S/c1-14-20-19(21-24-14)12-15-7-9-22(10-8-15)13-16-5-6-18(25-16)17-4-2-3-11-23-17/h5-6,15,17H,2-4,7-13H2,1H3
• InChIKey: FXKLVIIAYPEWSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-{[5-(oxan-2-yl)thiophen-2-yl]methyl}piperidine
• IUPAC Traditional name: 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-{[5-(oxan-2-yl)thiophen-2-yl]methyl}piperidine
• Synonyms: 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-{[5-(tetrahydro-2H-pyran-2-yl)-2-thienyl]methyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.74588525
• LogD (pH = 7.4): 2.530768
• Log P: 3.6079392
• Molar Refractivity: 100.7065 cm^3
• Polarizability: 38.24182 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.27
• LOG S: -2.77
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 5