4-[3-(1-ethyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2-methoxypyridine

• ChemBase ID: 351219
• Molecular Formular: C17H22N4O2
• Molecular Mass: 314.38218
• Monoisotopic Mass: 314.17427596
• SMILES: c1(C2CN(C(=O)c3cc(ncc3)OC)CCC2)n(ccn1)CC
• Canonical SMILES: COc1nccc(c1)C(=O)N1CCCC(C1)c1nccn1CC
• InChI: InChI=1S/C17H22N4O2/c1-3-20-10-8-19-16(20)14-5-4-9-21(12-14)17(22)13-6-7-18-15(11-13)23-2/h6-8,10-11,14H,3-5,9,12H2,1-2H3
• InChIKey: JXTVCXUEWQNHLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(1-ethyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2-methoxypyridine
• IUPAC Traditional name: 4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-2-methoxypyridine
• Synonyms: 4-{[3-(1-ethyl-1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-2-methoxypyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8321963
• LogD (pH = 7.4): 1.4719888
• Log P: 1.5010405
• Molar Refractivity: 88.2326 cm^3
• Polarizability: 33.28682 Å^3
• Polar Surface Area: 60.25 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: 1.14
• LOG S: -2.47
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 4