N-ethyl-2-{4-[6-(1-hydroxyethyl)pyridin-2-yl]piperazin-1-yl}acetamide

• ChemBase ID: 560669
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: n1c(N2CCN(CC(=O)NCC)CC2)cccc1C(O)C
• Canonical SMILES: CCNC(=O)CN1CCN(CC1)c1cccc(n1)C(O)C
• InChI: InChI=1S/C15H24N4O2/c1-3-16-15(21)11-18-7-9-19(10-8-18)14-6-4-5-13(17-14)12(2)20/h4-6,12,20H,3,7-11H2,1-2H3,(H,16,21)
• InChIKey: WKBQWMWNUHNXKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-{4-[6-(1-hydroxyethyl)pyridin-2-yl]piperazin-1-yl}acetamide
• IUPAC Traditional name: N-ethyl-2-{4-[6-(1-hydroxyethyl)pyridin-2-yl]piperazin-1-yl}acetamide
• Synonyms: N-ethyl-2-{4-[6-(1-hydroxyethyl)-2-pyridinyl]-1-piperazinyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.125869
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.40004852
• LogD (pH = 7.4): 0.4120938
• Log P: 0.43960544
• Molar Refractivity: 83.033 cm^3
• Polarizability: 31.61245 Å^3
• Polar Surface Area: 68.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.18
• LOG S: -2.8
• Polar Surface Area: 68.7 Å^2
• Rotatable Bonds: 5