1-(5-fluoro-2-methoxybenzoyl)-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine

• ChemBase ID: 754156
• Molecular Formular: C19H24FN3O3
• Molecular Mass: 361.4105632
• Monoisotopic Mass: 361.18016986
• SMILES: C(=O)(c1c(ccc(c1)F)OC)N1CC(c2n(ccn2)CCOC)CCC1
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)c1cc(F)ccc1OC
• InChI: InChI=1S/C19H24FN3O3/c1-25-11-10-22-9-7-21-18(22)14-4-3-8-23(13-14)19(24)16-12-15(20)5-6-17(16)26-2/h5-7,9,12,14H,3-4,8,10-11,13H2,1-2H3
• InChIKey: FEXKEUJXLMVVKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-fluoro-2-methoxybenzoyl)-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine
• IUPAC Traditional name: 1-(5-fluoro-2-methoxybenzoyl)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine
• Synonyms: 1-(5-fluoro-2-methoxybenzoyl)-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2045714
• LogD (pH = 7.4): 1.835353
• Log P: 1.8631738
• Molar Refractivity: 96.5873 cm^3
• Polarizability: 36.419514 Å^3
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.24
• LOG S: -2.89
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 6