1-ethyl-N-[2-(6-hydroxypyrimidin-4-yl)ethyl]-3-methylpiperidine-3-carboxamide

• ChemBase ID: 339739
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: C1(C(=O)NCCc2cc(ncn2)O)(CN(CCC1)CC)C
• Canonical SMILES: CCN1CCCC(C1)(C)C(=O)NCCc1ncnc(c1)O
• InChI: InChI=1S/C15H24N4O2/c1-3-19-8-4-6-15(2,10-19)14(21)16-7-5-12-9-13(20)18-11-17-12/h9,11H,3-8,10H2,1-2H3,(H,16,21)(H,17,18,20)
• InChIKey: ZFIQPKNKCHAWLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-[2-(6-hydroxypyrimidin-4-yl)ethyl]-3-methylpiperidine-3-carboxamide
• IUPAC Traditional name: 1-ethyl-N-[2-(6-hydroxypyrimidin-4-yl)ethyl]-3-methylpiperidine-3-carboxamide
• Synonyms: 1-ethyl-N-[2-(6-hydroxy-4-pyrimidinyl)ethyl]-3-methyl-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.834316
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.2700708
• LogD (pH = 7.4): -1.1577133
• Log P: 1.1590829
• Molar Refractivity: 81.933 cm^3
• Polarizability: 31.4175 Å^3
• Polar Surface Area: 78.35 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: -0.5
• LOG S: -2.22
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 5