N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 363192
• Molecular Formular: C18H26N4O2
• Molecular Mass: 330.42464
• Monoisotopic Mass: 330.20557609
• SMILES: n1(c(ncc1)CC)CCNC(=O)C1CN(Cc2occc2)CCC1
• Canonical SMILES: CCc1nccn1CCNC(=O)C1CCCN(C1)Cc1ccco1
• InChI: InChI=1S/C18H26N4O2/c1-2-17-19-7-10-22(17)11-8-20-18(23)15-5-3-9-21(13-15)14-16-6-4-12-24-16/h4,6-7,10,12,15H,2-3,5,8-9,11,13-14H2,1H3,(H,20,23)
• InChIKey: MWEVZTGDSUEBAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-[2-(2-ethylimidazol-1-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
• Synonyms: N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-1-(2-furylmethyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.3033905
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.586843
• LogD (pH = 7.4): -0.054930817
• Log P: 1.3511683
• Molar Refractivity: 92.9465 cm^3
• Polarizability: 35.78874 Å^3
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.73
• LOG S: -2.23
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 7