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

• ChemBase ID: 669397
• Molecular Formular: C24H29N3O5
• Molecular Mass: 439.50416
• Monoisotopic Mass: 439.21072104
• SMILES: c1(nc(on1)CN1C(c2cc(OC)ccc2)CCCC1)c1c(c(c(cc1)OC)OC)OC
• Canonical SMILES: COc1cccc(c1)C1CCCCN1Cc1onc(n1)c1ccc(c(c1OC)OC)OC
• InChI: InChI=1S/C24H29N3O5/c1-28-17-9-7-8-16(14-17)19-10-5-6-13-27(19)15-21-25-24(26-32-21)18-11-12-20(29-2)23(31-4)22(18)30-3/h7-9,11-12,14,19H,5-6,10,13,15H2,1-4H3
• InChIKey: LTYVTWHDBJYBDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 2.3782668
• LogD (pH = 7.4): 3.8468785
• Log P: 4.0448704
• Molar Refractivity: 132.2325 cm^3
• Polarizability: 47.23474 Å^3
• Polar Surface Area: 79.08 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: 3.16
• LOG S: -3.05
• Polar Surface Area: 79.08 Å^2
• Rotatable Bonds: 4