N-({1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl}methyl)-N-methylpyrazine-2-carboxamide

• ChemBase ID: 480985
• Molecular Formular: C20H25FN4O
• Molecular Mass: 356.4371032
• Monoisotopic Mass: 356.20123966
• SMILES: C(=O)(c1nccnc1)N(CC1CCN(CCc2c(F)cccc2)CC1)C
• Canonical SMILES: CN(C(=O)c1cnccn1)CC1CCN(CC1)CCc1ccccc1F
• InChI: InChI=1S/C20H25FN4O/c1-24(20(26)19-14-22-9-10-23-19)15-16-6-11-25(12-7-16)13-8-17-4-2-3-5-18(17)21/h2-5,9-10,14,16H,6-8,11-13,15H2,1H3
• InChIKey: GDPAVISEAQOYER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl}methyl)-N-methylpyrazine-2-carboxamide
• IUPAC Traditional name: N-({1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl}methyl)-N-methylpyrazine-2-carboxamide
• Synonyms: N-({1-[2-(2-fluorophenyl)ethyl]-4-piperidinyl}methyl)-N-methyl-2-pyrazinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0476087
• LogD (pH = 7.4): 0.69509184
• Log P: 1.8649869
• Molar Refractivity: 100.0971 cm^3
• Polarizability: 37.92675 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.3
• LOG S: -2.55
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 6