2-ethoxy-3-{3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}pyridine

• ChemBase ID: 819730
• Molecular Formular: C18H24N4O4
• Molecular Mass: 360.40756
• Monoisotopic Mass: 360.17975527
• SMILES: n1c(onc1CCOC)C1CN(C(=O)c2c(nccc2)OCC)CCC1
• Canonical SMILES: COCCc1noc(n1)C1CCCN(C1)C(=O)c1cccnc1OCC
• InChI: InChI=1S/C18H24N4O4/c1-3-25-17-14(7-4-9-19-17)18(23)22-10-5-6-13(12-22)16-20-15(21-26-16)8-11-24-2/h4,7,9,13H,3,5-6,8,10-12H2,1-2H3
• InChIKey: LDEQFEBHFQQESM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-3-{3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}pyridine
• IUPAC Traditional name: 2-ethoxy-3-{3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}pyridine
• Synonyms: 2-ethoxy-3-({3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}carbonyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.6339296
• LogD (pH = 7.4): 1.6339887
• Log P: 1.6339896
• Molar Refractivity: 96.7744 cm^3
• Polarizability: 36.03253 Å^3
• Polar Surface Area: 90.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.86
• LOG S: -2.56
• Polar Surface Area: 90.58 Å^2
• Rotatable Bonds: 7