1-(2-methoxyacetyl)-N-{2-[(3-methylpyridin-2-yl)amino]ethyl}piperidine-3-carboxamide

• ChemBase ID: 413158
• Molecular Formular: C17H26N4O3
• Molecular Mass: 334.41334
• Monoisotopic Mass: 334.20049071
• SMILES: N1(C(=O)COC)CC(C(=O)NCCNc2ncccc2C)CCC1
• Canonical SMILES: COCC(=O)N1CCCC(C1)C(=O)NCCNc1ncccc1C
• InChI: InChI=1S/C17H26N4O3/c1-13-5-3-7-18-16(13)19-8-9-20-17(23)14-6-4-10-21(11-14)15(22)12-24-2/h3,5,7,14H,4,6,8-12H2,1-2H3,(H,18,19)(H,20,23)
• InChIKey: GGXFFEJSCJHQBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyacetyl)-N-{2-[(3-methylpyridin-2-yl)amino]ethyl}piperidine-3-carboxamide
• IUPAC Traditional name: 1-(2-methoxyacetyl)-N-{2-[(3-methylpyridin-2-yl)amino]ethyl}piperidine-3-carboxamide
• Synonyms: 1-(methoxyacetyl)-N-{2-[(3-methyl-2-pyridinyl)amino]ethyl}-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.555014
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.1994495
• LogD (pH = 7.4): -0.117071785
• Log P: 0.05339931
• Molar Refractivity: 93.1401 cm^3
• Polarizability: 35.004776 Å^3
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.15
• LOG S: -3.08
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 7