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

• ChemBase ID: 550962
• Molecular Formular: C18H25N3O3
• Molecular Mass: 331.4094
• Monoisotopic Mass: 331.18959168
• SMILES: n1c(noc1CN1C(CCOC)CCCC1)c1ccc(cc1)OC
• Canonical SMILES: COCCC1CCCCN1Cc1onc(n1)c1ccc(cc1)OC
• InChI: InChI=1S/C18H25N3O3/c1-22-12-10-15-5-3-4-11-21(15)13-17-19-18(20-24-17)14-6-8-16(23-2)9-7-14/h6-9,15H,3-5,10-13H2,1-2H3
• InChIKey: UXBMWTXZQWCDBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
• IUPAC Traditional name: 2-(2-methoxyethyl)-1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
• Synonyms: 2-(2-methoxyethyl)-1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.38021004
• LogD (pH = 7.4): 2.155756
• Log P: 2.8612714
• Molar Refractivity: 104.1392 cm^3
• Polarizability: 36.292206 Å^3
• Polar Surface Area: 60.62 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.87
• LOG S: -1.6
• Polar Surface Area: 60.62 Å^2
• Rotatable Bonds: 5