4-(1-ethyl-1H-imidazol-2-yl)-1-(5-phenoxyfuran-2-carbonyl)piperidine

• ChemBase ID: 574909
• Molecular Formular: C21H23N3O3
• Molecular Mass: 365.42562
• Monoisotopic Mass: 365.17394161
• SMILES: c1(C(=O)N2CCC(c3n(ccn3)CC)CC2)oc(cc1)Oc1ccccc1
• Canonical SMILES: CCn1ccnc1C1CCN(CC1)C(=O)c1ccc(o1)Oc1ccccc1
• InChI: InChI=1S/C21H23N3O3/c1-2-23-15-12-22-20(23)16-10-13-24(14-11-16)21(25)18-8-9-19(27-18)26-17-6-4-3-5-7-17/h3-9,12,15-16H,2,10-11,13-14H2,1H3
• InChIKey: GGUGHOIJXAZMDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-ethyl-1H-imidazol-2-yl)-1-(5-phenoxyfuran-2-carbonyl)piperidine
• IUPAC Traditional name: 4-(1-ethylimidazol-2-yl)-1-(5-phenoxyfuran-2-carbonyl)piperidine
• Synonyms: 4-(1-ethyl-1H-imidazol-2-yl)-1-(5-phenoxy-2-furoyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0933375
• LogD (pH = 7.4): 2.745043
• Log P: 2.775844
• Molar Refractivity: 101.6518 cm^3
• Polarizability: 38.859287 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: 3.37
• LOG S: -4.74
• Polar Surface Area: 60.5 Å^2
• Rotatable Bonds: 5