2-ethoxy-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridine

• ChemBase ID: 654460
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: C(=O)(N1CC(OCc2cnccc2)CCC1)c1c(nccc1)OCC
• Canonical SMILES: CCOc1ncccc1C(=O)N1CCCC(C1)OCc1cccnc1
• InChI: InChI=1S/C19H23N3O3/c1-2-24-18-17(8-4-10-21-18)19(23)22-11-5-7-16(13-22)25-14-15-6-3-9-20-12-15/h3-4,6,8-10,12,16H,2,5,7,11,13-14H2,1H3
• InChIKey: GYQYESDPXWUOLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridine
• IUPAC Traditional name: 2-ethoxy-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridine
• Synonyms: 2-ethoxy-3-{[3-(3-pyridinylmethoxy)-1-piperidinyl]carbonyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.7123423
• LogD (pH = 7.4): 1.7717236
• Log P: 1.7725497
• Molar Refractivity: 95.0086 cm^3
• Polarizability: 36.341553 Å^3
• Polar Surface Area: 64.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.43
• LOG S: -1.61
• Polar Surface Area: 64.55 Å^2
• Rotatable Bonds: 6