1-[4-(morpholine-2-carbonyl)piperazin-1-yl]-2-phenoxyethan-1-one

• ChemBase ID: 519618
• Molecular Formular: C17H23N3O4
• Molecular Mass: 333.38222
• Monoisotopic Mass: 333.16885623
• SMILES: C(=O)(N1CCN(C(=O)COc2ccccc2)CC1)C1OCCNC1
• Canonical SMILES: O=C(N1CCN(CC1)C(=O)C1OCCNC1)COc1ccccc1
• InChI: InChI=1S/C17H23N3O4/c21-16(13-24-14-4-2-1-3-5-14)19-7-9-20(10-8-19)17(22)15-12-18-6-11-23-15/h1-5,15,18H,6-13H2
• InChIKey: ZHWJTYVTYWZQJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(morpholine-2-carbonyl)piperazin-1-yl]-2-phenoxyethan-1-one
• IUPAC Traditional name: 1-[4-(morpholine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone
• Synonyms: 2-{[4-(phenoxyacetyl)piperazin-1-yl]carbonyl}morpholine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.546127
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.6834452
• LogD (pH = 7.4): -0.9870526
• Log P: -0.49011233
• Molar Refractivity: 87.4968 cm^3
• Polarizability: 34.477146 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.71
• LOG S: -2.33
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 4