2-methoxy-4-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}pyridine

• ChemBase ID: 695788
• Molecular Formular: C18H24N4O3
• Molecular Mass: 344.40816
• Monoisotopic Mass: 344.18484065
• SMILES: c1(C2CN(C(=O)c3cc(ncc3)OC)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)c1ccnc(c1)OC
• InChI: InChI=1S/C18H24N4O3/c1-24-11-10-21-9-7-20-17(21)15-4-3-8-22(13-15)18(23)14-5-6-19-16(12-14)25-2/h5-7,9,12,15H,3-4,8,10-11,13H2,1-2H3
• InChIKey: UXLMOJPDNYLYGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}pyridine
• IUPAC Traditional name: 2-methoxy-4-{3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl}pyridine
• Synonyms: 2-methoxy-4-({3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.43862918
• LogD (pH = 7.4): 1.069436
• Log P: 1.097257
• Molar Refractivity: 94.5275 cm^3
• Polarizability: 35.83808 Å^3
• Polar Surface Area: 69.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.62
• LOG S: -2.24
• Polar Surface Area: 69.48 Å^2
• Rotatable Bonds: 6