1-[2-(morpholin-4-yl)ethyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide

• ChemBase ID: 355055
• Molecular Formular: C20H29N3O4
• Molecular Mass: 375.46196
• Monoisotopic Mass: 375.21580642
• SMILES: N1(C(=O)CCC(C(=O)NCCOc2ccccc2)C1)CCN1CCOCC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)CCN1CCOCC1)NCCOc1ccccc1
• InChI: InChI=1S/C20H29N3O4/c24-19-7-6-17(16-23(19)10-9-22-11-14-26-15-12-22)20(25)21-8-13-27-18-4-2-1-3-5-18/h1-5,17H,6-16H2,(H,21,25)
• InChIKey: STTNLTZUEQDSJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(morpholin-4-yl)ethyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-[2-(morpholin-4-yl)ethyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
• Synonyms: 1-[2-(4-morpholinyl)ethyl]-6-oxo-N-(2-phenoxyethyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.545365
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.5516405
• LogD (pH = 7.4): 0.2935667
• Log P: 0.32821453
• Molar Refractivity: 102.2062 cm^3
• Polarizability: 39.984146 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.3
• LOG S: -0.94
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 8