N-{[1-(2,6-dimethylpyridin-4-yl)piperidin-4-yl]methyl}acetamide

• ChemBase ID: 638846
• Molecular Formular: C15H23N3O
• Molecular Mass: 261.36262
• Monoisotopic Mass: 261.18411237
• SMILES: N1(c2cc(nc(c2)C)C)CCC(CNC(=O)C)CC1
• Canonical SMILES: CC(=O)NCC1CCN(CC1)c1cc(C)nc(c1)C
• InChI: InChI=1S/C15H23N3O/c1-11-8-15(9-12(2)17-11)18-6-4-14(5-7-18)10-16-13(3)19/h8-9,14H,4-7,10H2,1-3H3,(H,16,19)
• InChIKey: ZCGUAJARWHEFCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(2,6-dimethylpyridin-4-yl)piperidin-4-yl]methyl}acetamide
• IUPAC Traditional name: N-{[1-(2,6-dimethylpyridin-4-yl)piperidin-4-yl]methyl}acetamide
• Synonyms: N-{[1-(2,6-dimethyl-4-pyridinyl)-4-piperidinyl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.943961
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2945743
• LogD (pH = 7.4): -1.0010985
• Log P: 0.61698276
• Molar Refractivity: 77.1563 cm^3
• Polarizability: 29.305191 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.28
• LOG S: -2.2
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 3