ethyl 4-[2-(5-ethylfuran-2-yl)-1H-imidazol-1-yl]piperidine-1-carboxylate

• ChemBase ID: 407614
• Molecular Formular: C17H23N3O3
• Molecular Mass: 317.38282
• Monoisotopic Mass: 317.17394161
• SMILES: c1(n(C2CCN(C(=O)OCC)CC2)ccn1)c1oc(cc1)CC
• Canonical SMILES: CCOC(=O)N1CCC(CC1)n1ccnc1c1ccc(o1)CC
• InChI: InChI=1S/C17H23N3O3/c1-3-14-5-6-15(23-14)16-18-9-12-20(16)13-7-10-19(11-8-13)17(21)22-4-2/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3
• InChIKey: UOXJPIXHXHGHME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-[2-(5-ethylfuran-2-yl)-1H-imidazol-1-yl]piperidine-1-carboxylate
• IUPAC Traditional name: ethyl 4-[2-(5-ethylfuran-2-yl)imidazol-1-yl]piperidine-1-carboxylate
• Synonyms: ethyl 4-[2-(5-ethyl-2-furyl)-1H-imidazol-1-yl]piperidine-1-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.022482
• LogD (pH = 7.4): 2.1140215
• Log P: 2.115352
• Molar Refractivity: 97.1702 cm^3
• Polarizability: 33.805317 Å^3
• Polar Surface Area: 60.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.92
• LOG S: -3.15
• Polar Surface Area: 60.5 Å^2
• Rotatable Bonds: 5