1-[5-(4-methoxyphenyl)furan-2-carbonyl]-4-(1-methyl-1H-imidazol-2-yl)piperidine

• ChemBase ID: 550195
• Molecular Formular: C21H23N3O3
• Molecular Mass: 365.42562
• Monoisotopic Mass: 365.17394161
• SMILES: c1(C(=O)N2CCC(c3n(ccn3)C)CC2)oc(cc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1ccc(o1)C(=O)N1CCC(CC1)c1nccn1C
• InChI: InChI=1S/C21H23N3O3/c1-23-14-11-22-20(23)16-9-12-24(13-10-16)21(25)19-8-7-18(27-19)15-3-5-17(26-2)6-4-15/h3-8,11,14,16H,9-10,12-13H2,1-2H3
• InChIKey: IMXOYOPRCXYYRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[5-(4-methoxyphenyl)furan-2-carbonyl]-4-(1-methyl-1H-imidazol-2-yl)piperidine
• IUPAC Traditional name: 1-[5-(4-methoxyphenyl)furan-2-carbonyl]-4-(1-methylimidazol-2-yl)piperidine
• Synonyms: 1-[5-(4-methoxyphenyl)-2-furoyl]-4-(1-methyl-1H-imidazol-2-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.543123
• LogD (pH = 7.4): 2.2063797
• Log P: 2.239013
• Molar Refractivity: 102.886 cm^3
• Polarizability: 40.14505 Å^3
• Polar Surface Area: 60.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.27
• LOG S: -3.8
• Polar Surface Area: 60.5 Å^2
• Rotatable Bonds: 4