ethyl 2-[1-(2-ethoxypyridine-3-carbonyl)piperidin-2-yl]acetate

• ChemBase ID: 817551
• Molecular Formular: C17H24N2O4
• Molecular Mass: 320.38346
• Monoisotopic Mass: 320.17360726
• SMILES: C(=O)(N1C(CC(=O)OCC)CCCC1)c1c(nccc1)OCC
• Canonical SMILES: CCOC(=O)CC1CCCCN1C(=O)c1cccnc1OCC
• InChI: InChI=1S/C17H24N2O4/c1-3-22-15(20)12-13-8-5-6-11-19(13)17(21)14-9-7-10-18-16(14)23-4-2/h7,9-10,13H,3-6,8,11-12H2,1-2H3
• InChIKey: LDUPQEKTMWSUAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[1-(2-ethoxypyridine-3-carbonyl)piperidin-2-yl]acetate
• IUPAC Traditional name: ethyl 2-[1-(2-ethoxypyridine-3-carbonyl)piperidin-2-yl]acetate
• Synonyms: ethyl {1-[(2-ethoxy-3-pyridinyl)carbonyl]-2-piperidinyl}acetate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9749322
• LogD (pH = 7.4): 1.9749906
• Log P: 1.9749913
• Molar Refractivity: 86.4121 cm^3
• Polarizability: 33.2746 Å^3
• Polar Surface Area: 68.73 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.15
• LOG S: -3.37
• Polar Surface Area: 68.73 Å^2
• Rotatable Bonds: 7