6-{3-[benzyl(methyl)amino]piperidin-1-yl}-N,N-dimethylpyrazine-2-carboxamide

• ChemBase ID: 529574
• Molecular Formular: C20H27N5O
• Molecular Mass: 353.46128
• Monoisotopic Mass: 353.22156051
• SMILES: c1(nc(N2CC(N(Cc3ccccc3)C)CCC2)cnc1)C(=O)N(C)C
• Canonical SMILES: CN(C1CCCN(C1)c1cncc(n1)C(=O)N(C)C)Cc1ccccc1
• InChI: InChI=1S/C20H27N5O/c1-23(2)20(26)18-12-21-13-19(22-18)25-11-7-10-17(15-25)24(3)14-16-8-5-4-6-9-16/h4-6,8-9,12-13,17H,7,10-11,14-15H2,1-3H3
• InChIKey: XIZQBUMROKFGBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{3-[benzyl(methyl)amino]piperidin-1-yl}-N,N-dimethylpyrazine-2-carboxamide
• IUPAC Traditional name: 6-{3-[benzyl(methyl)amino]piperidin-1-yl}-N,N-dimethylpyrazine-2-carboxamide
• Synonyms: 6-{3-[benzyl(methyl)amino]-1-piperidinyl}-N,N-dimethyl-2-pyrazinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.1456653
• LogD (pH = 7.4): 0.35889322
• Log P: 2.1329272
• Molar Refractivity: 104.829 cm^3
• Polarizability: 39.478985 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.73
• LOG S: -3.25
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 5