2-{2-[1-(quinoxaline-6-carbonyl)piperidin-3-yl]-1H-imidazol-1-yl}acetamide

• ChemBase ID: 708090
• Molecular Formular: C19H20N6O2
• Molecular Mass: 364.4011
• Monoisotopic Mass: 364.16477391
• SMILES: c1(n(CC(=O)N)ccn1)C1CN(C(=O)c2cc3nccnc3cc2)CCC1
• Canonical SMILES: NC(=O)Cn1ccnc1C1CCCN(C1)C(=O)c1ccc2c(c1)nccn2
• InChI: InChI=1S/C19H20N6O2/c20-17(26)12-24-9-7-23-18(24)14-2-1-8-25(11-14)19(27)13-3-4-15-16(10-13)22-6-5-21-15/h3-7,9-10,14H,1-2,8,11-12H2,(H2,20,26)
• InChIKey: ORFXKFQEYVMQQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[1-(quinoxaline-6-carbonyl)piperidin-3-yl]-1H-imidazol-1-yl}acetamide
• IUPAC Traditional name: 2-{2-[1-(quinoxaline-6-carbonyl)piperidin-3-yl]imidazol-1-yl}acetamide
• Synonyms: 2-{2-[1-(6-quinoxalinylcarbonyl)-3-piperidinyl]-1H-imidazol-1-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.401227
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.7075062
• LogD (pH = 7.4): -0.10263474
• Log P: -0.0780081
• Molar Refractivity: 98.1634 cm^3
• Polarizability: 38.67049 Å^3
• Polar Surface Area: 107.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.56
• LOG S: -1.83
• Polar Surface Area: 107.0 Å^2
• Rotatable Bonds: 4