dimethyl(2-{2-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-imidazol-1-yl}ethyl)amine

• ChemBase ID: 454746
• Molecular Formular: C17H24N6O
• Molecular Mass: 328.41206
• Monoisotopic Mass: 328.20115942
• SMILES: c1(C2CN(C(=O)c3nccnc3)CCC2)n(ccn1)CCN(C)C
• Canonical SMILES: CN(CCn1ccnc1C1CCCN(C1)C(=O)c1cnccn1)C
• InChI: InChI=1S/C17H24N6O/c1-21(2)10-11-22-9-7-20-16(22)14-4-3-8-23(13-14)17(24)15-12-18-5-6-19-15/h5-7,9,12,14H,3-4,8,10-11,13H2,1-2H3
• InChIKey: SRZXCWSMXUYQFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(2-{2-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-imidazol-1-yl}ethyl)amine
• IUPAC Traditional name: dimethyl(2-{2-[1-(pyrazine-2-carbonyl)piperidin-3-yl]imidazol-1-yl}ethyl)amine
• Synonyms: N,N-dimethyl-2-{2-[1-(pyrazin-2-ylcarbonyl)piperidin-3-yl]-1H-imidazol-1-yl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.5905132
• LogD (pH = 7.4): -1.6350404
• Log P: -0.10573135
• Molar Refractivity: 92.1975 cm^3
• Polarizability: 35.08508 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.78
• LOG S: -2.24
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 5