N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrazin-2-ylmethyl)acetamide

• ChemBase ID: 787164
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: C(=O)(N(Cc1nccnc1)C)CN1CCN(c2cc(ccc2)C)CC1
• Canonical SMILES: Cc1cccc(c1)N1CCN(CC1)CC(=O)N(Cc1cnccn1)C
• InChI: InChI=1S/C19H25N5O/c1-16-4-3-5-18(12-16)24-10-8-23(9-11-24)15-19(25)22(2)14-17-13-20-6-7-21-17/h3-7,12-13H,8-11,14-15H2,1-2H3
• InChIKey: SYFBTSRTFQDAAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrazin-2-ylmethyl)acetamide
• IUPAC Traditional name: N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrazin-2-ylmethyl)acetamide
• Synonyms: N-methyl-2-[4-(3-methylphenyl)-1-piperazinyl]-N-(2-pyrazinylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.0130900955
• LogD (pH = 7.4): 0.89010674
• Log P: 0.9308236
• Molar Refractivity: 99.0547 cm^3
• Polarizability: 37.769802 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: 0.98
• LOG S: -1.5
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 5