1-(4-benzoylpiperazin-1-yl)-2-(morpholin-2-yl)ethan-1-one

• ChemBase ID: 466671
• Molecular Formular: C17H23N3O3
• Molecular Mass: 317.38282
• Monoisotopic Mass: 317.17394161
• SMILES: C(=O)(N1CCN(C(=O)c2ccccc2)CC1)CC1OCCNC1
• Canonical SMILES: O=C(N1CCN(CC1)C(=O)c1ccccc1)CC1OCCNC1
• InChI: InChI=1S/C17H23N3O3/c21-16(12-15-13-18-6-11-23-15)19-7-9-20(10-8-19)17(22)14-4-2-1-3-5-14/h1-5,15,18H,6-13H2
• InChIKey: HBPKDOYZQQEDJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-benzoylpiperazin-1-yl)-2-(morpholin-2-yl)ethan-1-one
• IUPAC Traditional name: 1-(4-benzoylpiperazin-1-yl)-2-(morpholin-2-yl)ethanone
• Synonyms: 2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.8347147
• LogD (pH = 7.4): -1.145885
• Log P: -0.06801794
• Molar Refractivity: 86.8295 cm^3
• Polarizability: 33.562103 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.47
• LOG S: -1.92
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 3