1-[5-(2,3,4-trimethoxyphenyl)furan-2-carbonyl]piperidine

• ChemBase ID: 454314
• Molecular Formular: C19H23NO5
• Molecular Mass: 345.38962
• Monoisotopic Mass: 345.15762284
• SMILES: c1(c2c(c(c(cc2)OC)OC)OC)oc(C(=O)N2CCCCC2)cc1
• Canonical SMILES: COc1c(ccc(c1OC)OC)c1ccc(o1)C(=O)N1CCCCC1
• InChI: InChI=1S/C19H23NO5/c1-22-15-8-7-13(17(23-2)18(15)24-3)14-9-10-16(25-14)19(21)20-11-5-4-6-12-20/h7-10H,4-6,11-12H2,1-3H3
• InChIKey: NEJODPFSLACLDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[5-(2,3,4-trimethoxyphenyl)furan-2-carbonyl]piperidine
• IUPAC Traditional name: 1-[5-(2,3,4-trimethoxyphenyl)furan-2-carbonyl]piperidine
• Synonyms: 1-[5-(2,3,4-trimethoxyphenyl)-2-furoyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2760637
• LogD (pH = 7.4): 2.2760637
• Log P: 2.2760637
• Molar Refractivity: 93.866 cm^3
• Polarizability: 37.02663 Å^3
• Polar Surface Area: 61.14 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: 2.26
• LOG S: -3.65
• Polar Surface Area: 61.14 Å^2
• Rotatable Bonds: 5