2-(2-hydroxyethyl)-N-[2-(pyridin-3-yloxy)phenyl]piperidine-1-carboxamide

• ChemBase ID: 358408
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: C(=O)(N1C(CCO)CCCC1)Nc1c(Oc2cnccc2)cccc1
• Canonical SMILES: OCCC1CCCCN1C(=O)Nc1ccccc1Oc1cccnc1
• InChI: InChI=1S/C19H23N3O3/c23-13-10-15-6-3-4-12-22(15)19(24)21-17-8-1-2-9-18(17)25-16-7-5-11-20-14-16/h1-2,5,7-9,11,14-15,23H,3-4,6,10,12-13H2,(H,21,24)
• InChIKey: AQUKQUPKCHQBCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-hydroxyethyl)-N-[2-(pyridin-3-yloxy)phenyl]piperidine-1-carboxamide
• IUPAC Traditional name: 2-(2-hydroxyethyl)-N-[2-(pyridin-3-yloxy)phenyl]piperidine-1-carboxamide
• Synonyms: 2-(2-hydroxyethyl)-N-[2-(pyridin-3-yloxy)phenyl]piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.744292
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8408873
• LogD (pH = 7.4): 1.8867246
• Log P: 1.8873684
• Molar Refractivity: 96.4449 cm^3
• Polarizability: 36.717464 Å^3
• Polar Surface Area: 74.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.14
• LOG S: -3.52
• Polar Surface Area: 74.69 Å^2
• Rotatable Bonds: 5