1-{4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-2-(pyridin-4-yl)ethan-1-one

• ChemBase ID: 313957
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: c1(n(ccn1)CCOC)C1CCN(C(=O)Cc2ccncc2)CC1
• Canonical SMILES: COCCn1ccnc1C1CCN(CC1)C(=O)Cc1ccncc1
• InChI: InChI=1S/C18H24N4O2/c1-24-13-12-22-11-8-20-18(22)16-4-9-21(10-5-16)17(23)14-15-2-6-19-7-3-15/h2-3,6-8,11,16H,4-5,9-10,12-14H2,1H3
• InChIKey: QCHLTXPKGLNODB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-2-(pyridin-4-yl)ethan-1-one
• IUPAC Traditional name: 1-{4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl}-2-(pyridin-4-yl)ethanone
• Synonyms: 4-(2-{4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-2-oxoethyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.3010094
• LogD (pH = 7.4): 0.4535451
• Log P: 0.48472863
• Molar Refractivity: 91.9562 cm^3
• Polarizability: 35.34667 Å^3
• Polar Surface Area: 60.25 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: 0.1
• LOG S: -1.69
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 6