3-(piperidine-1-carbonyl)-2-(3,4,5-trimethoxyphenyl)pyridine

• ChemBase ID: 853666
• Molecular Formular: C20H24N2O4
• Molecular Mass: 356.41556
• Monoisotopic Mass: 356.17360726
• SMILES: c1(C(=O)N2CCCCC2)c(c2cc(c(c(c2)OC)OC)OC)nccc1
• Canonical SMILES: COc1cc(cc(c1OC)OC)c1ncccc1C(=O)N1CCCCC1
• InChI: InChI=1S/C20H24N2O4/c1-24-16-12-14(13-17(25-2)19(16)26-3)18-15(8-7-9-21-18)20(23)22-10-5-4-6-11-22/h7-9,12-13H,4-6,10-11H2,1-3H3
• InChIKey: HEALXUXEMRWUIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidine-1-carbonyl)-2-(3,4,5-trimethoxyphenyl)pyridine
• IUPAC Traditional name: 3-(piperidine-1-carbonyl)-2-(3,4,5-trimethoxyphenyl)pyridine
• Synonyms: 3-(piperidin-1-ylcarbonyl)-2-(3,4,5-trimethoxyphenyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.4614615
• LogD (pH = 7.4): 2.4639618
• Log P: 2.4639938
• Molar Refractivity: 99.0687 cm^3
• Polarizability: 39.24773 Å^3
• Polar Surface Area: 60.89 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: 0.91
• LOG S: -2.58
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 5