N-(4-ethoxyphenyl)-2-(pyridin-2-yl)piperidine-1-carboxamide

• ChemBase ID: 757541
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: C(=O)(N1C(c2ncccc2)CCCC1)Nc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)NC(=O)N1CCCCC1c1ccccn1
• InChI: InChI=1S/C19H23N3O2/c1-2-24-16-11-9-15(10-12-16)21-19(23)22-14-6-4-8-18(22)17-7-3-5-13-20-17/h3,5,7,9-13,18H,2,4,6,8,14H2,1H3,(H,21,23)
• InChIKey: WDBUOTBGPHZKPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-ethoxyphenyl)-2-(pyridin-2-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(4-ethoxyphenyl)-2-(pyridin-2-yl)piperidine-1-carboxamide
• Synonyms: N-(4-ethoxyphenyl)-2-pyridin-2-ylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.960682
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1602635
• LogD (pH = 7.4): 3.174312
• Log P: 3.1744945
• Molar Refractivity: 94.4237 cm^3
• Polarizability: 36.02984 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.36
• LOG S: -2.29
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 4