N-methyl-2-[3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase ID: 574627
• Molecular Formular: C22H35N5O2
• Molecular Mass: 401.5456
• Monoisotopic Mass: 401.27907539
• SMILES: C(C(=O)N(C1CC(NC(C1)(C)C)(C)C)C)C1N(Cc2ncccc2)CCNC1=O
• Canonical SMILES: O=C1NCCN(C1CC(=O)N(C1CC(C)(C)NC(C1)(C)C)C)Cc1ccccn1
• InChI: InChI=1S/C22H35N5O2/c1-21(2)13-17(14-22(3,4)25-21)26(5)19(28)12-18-20(29)24-10-11-27(18)15-16-8-6-7-9-23-16/h6-9,17-18,25H,10-15H2,1-5H3,(H,24,29)
• InChIKey: QZUMZQRJRHMTOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• IUPAC Traditional name: N-methyl-2-[3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• Synonyms: N-methyl-2-[3-oxo-1-(2-pyridinylmethyl)-2-piperazinyl]-N-(2,2,6,6-tetramethyl-4-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.253751
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.3011804
• LogD (pH = 7.4): -2.6910686
• Log P: 0.10705729
• Molar Refractivity: 113.1714 cm^3
• Polarizability: 44.74662 Å^3
• Polar Surface Area: 77.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.48
• LOG S: -1.74
• Polar Surface Area: 77.57 Å^2
• Rotatable Bonds: 5