N-[(4-methylpyridin-2-yl)methyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase ID: 383511
• Molecular Formular: C18H29N3O
• Molecular Mass: 303.44236
• Monoisotopic Mass: 303.23106256
• SMILES: N1C(CC(CC1(C)C)CC(=O)NCc1nccc(c1)C)(C)C
• Canonical SMILES: O=C(CC1CC(C)(C)NC(C1)(C)C)NCc1nccc(c1)C
• InChI: InChI=1S/C18H29N3O/c1-13-6-7-19-15(8-13)12-20-16(22)9-14-10-17(2,3)21-18(4,5)11-14/h6-8,14,21H,9-12H2,1-5H3,(H,20,22)
• InChIKey: FGUZHYQHRFIHIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methylpyridin-2-yl)methyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• IUPAC Traditional name: N-[(4-methylpyridin-2-yl)methyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• Synonyms: N-[(4-methylpyridin-2-yl)methyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.724461
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.3449306
• LogD (pH = 7.4): -0.8296008
• Log P: 1.9815645
• Molar Refractivity: 89.458 cm^3
• Polarizability: 35.300636 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.25
• LOG S: -2.04
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 4