3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine

• ChemBase ID: 851945
• Molecular Formular: C18H25N3O4
• Molecular Mass: 347.4088
• Monoisotopic Mass: 347.1845063
• SMILES: c1(C2CN(C(=O)c3oc(cc3)COC)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)c1ccc(o1)COC
• InChI: InChI=1S/C18H25N3O4/c1-23-11-10-20-9-7-19-17(20)14-4-3-8-21(12-14)18(22)16-6-5-15(25-16)13-24-2/h5-7,9,14H,3-4,8,10-13H2,1-2H3
• InChIKey: PCNGEIVGPKFAIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine
• IUPAC Traditional name: 3-[1-(2-methoxyethyl)imidazol-2-yl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine
• Synonyms: 3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-[5-(methoxymethyl)-2-furoyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.07556532
• LogD (pH = 7.4): 0.7063469
• Log P: 0.73416764
• Molar Refractivity: 93.7432 cm^3
• Polarizability: 35.482224 Å^3
• Polar Surface Area: 69.73 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.35
• LOG S: -3.34
• Polar Surface Area: 69.73 Å^2
• Rotatable Bonds: 7