N-ethyl-2-[3-(1-ethyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide

• ChemBase ID: 721877
• Molecular Formular: C14H24N4O
• Molecular Mass: 264.36656
• Monoisotopic Mass: 264.19501141
• SMILES: c1(C2CN(CC(=O)NCC)CCC2)n(ccn1)CC
• Canonical SMILES: CCNC(=O)CN1CCCC(C1)c1nccn1CC
• InChI: InChI=1S/C14H24N4O/c1-3-15-13(19)11-17-8-5-6-12(10-17)14-16-7-9-18(14)4-2/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,15,19)
• InChIKey: SIQBNIRUURBARJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-[3-(1-ethyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide
• IUPAC Traditional name: N-ethyl-2-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]acetamide
• Synonyms: N-ethyl-2-[3-(1-ethyl-1H-imidazol-2-yl)-1-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.708066
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0020967
• LogD (pH = 7.4): 0.08623601
• Log P: 0.45238253
• Molar Refractivity: 76.2232 cm^3
• Polarizability: 29.246883 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.13
• LOG S: -2.09
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5