2-(1-benzyl-3-oxopiperazin-2-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase ID: 627861
• Molecular Formular: C23H36N4O2
• Molecular Mass: 400.55754
• Monoisotopic Mass: 400.28382641
• SMILES: C(C(=O)N(C1CC(NC(C1)(C)C)(C)C)C)C1N(Cc2ccccc2)CCNC1=O
• Canonical SMILES: O=C1NCCN(C1CC(=O)N(C1CC(C)(C)NC(C1)(C)C)C)Cc1ccccc1
• InChI: InChI=1S/C23H36N4O2/c1-22(2)14-18(15-23(3,4)25-22)26(5)20(28)13-19-21(29)24-11-12-27(19)16-17-9-7-6-8-10-17/h6-10,18-19,25H,11-16H2,1-5H3,(H,24,29)
• InChIKey: RPMSETUUXVDSDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-benzyl-3-oxopiperazin-2-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• IUPAC Traditional name: 2-(1-benzyl-3-oxopiperazin-2-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• Synonyms: 2-(1-benzyl-3-oxo-2-piperazinyl)-N-methyl-N-(2,2,6,6-tetramethyl-4-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.518725
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.0841975
• LogD (pH = 7.4): -1.6108304
• Log P: 1.2432579
• Molar Refractivity: 115.8505 cm^3
• Polarizability: 45.646675 Å^3
• Polar Surface Area: 64.68 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: 2.97
• LOG S: -1.2
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 5