N-(2-ethoxyphenyl)-2-[2-(morpholin-4-yl)ethyl]piperidine-1-carboxamide

• ChemBase ID: 682673
• Molecular Formular: C20H31N3O3
• Molecular Mass: 361.47844
• Monoisotopic Mass: 361.23654187
• SMILES: C(=O)(N1C(CCN2CCOCC2)CCCC1)Nc1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1NC(=O)N1CCCCC1CCN1CCOCC1
• InChI: InChI=1S/C20H31N3O3/c1-2-26-19-9-4-3-8-18(19)21-20(24)23-11-6-5-7-17(23)10-12-22-13-15-25-16-14-22/h3-4,8-9,17H,2,5-7,10-16H2,1H3,(H,21,24)
• InChIKey: RCVXBQBADFPHNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethoxyphenyl)-2-[2-(morpholin-4-yl)ethyl]piperidine-1-carboxamide
• IUPAC Traditional name: N-(2-ethoxyphenyl)-2-[2-(morpholin-4-yl)ethyl]piperidine-1-carboxamide
• Synonyms: N-(2-ethoxyphenyl)-2-[2-(4-morpholinyl)ethyl]-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.862413
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7028485
• LogD (pH = 7.4): 2.122578
• Log P: 2.2941365
• Molar Refractivity: 104.3741 cm^3
• Polarizability: 39.88191 Å^3
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.04
• LOG S: -3.58
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 6