N1,N1-dimethyl-N4-[(5-methylpyrazin-2-yl)methyl]piperidine-1,4-dicarboxamide

• ChemBase ID: 575831
• Molecular Formular: C15H23N5O2
• Molecular Mass: 305.37542
• Monoisotopic Mass: 305.185175
• SMILES: C(=O)(N1CCC(C(=O)NCc2ncc(nc2)C)CC1)N(C)C
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)N(C)C)NCc1cnc(cn1)C
• InChI: InChI=1S/C15H23N5O2/c1-11-8-17-13(9-16-11)10-18-14(21)12-4-6-20(7-5-12)15(22)19(2)3/h8-9,12H,4-7,10H2,1-3H3,(H,18,21)
• InChIKey: BLYWNBFIAUSPKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N1,N1-dimethyl-N4-[(5-methylpyrazin-2-yl)methyl]piperidine-1,4-dicarboxamide
• IUPAC Traditional name: N1,N1-dimethyl-N4-[(5-methylpyrazin-2-yl)methyl]piperidine-1,4-dicarboxamide
• Synonyms: N~1~,N~1~-dimethyl-N~4~-[(5-methylpyrazin-2-yl)methyl]piperidine-1,4-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.958337
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4773306
• LogD (pH = 7.4): -1.4773154
• Log P: -1.4773152
• Molar Refractivity: 82.1983 cm^3
• Polarizability: 31.577063 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.83
• LOG S: -2.03
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 3