2-[4-(1-ethyl-1H-imidazol-2-yl)piperidin-1-yl]-1-(morpholin-4-yl)ethan-1-one

• ChemBase ID: 431814
• Molecular Formular: C16H26N4O2
• Molecular Mass: 306.40324
• Monoisotopic Mass: 306.20557609
• SMILES: c1(n(ccn1)CC)C1CCN(CC(=O)N2CCOCC2)CC1
• Canonical SMILES: CCn1ccnc1C1CCN(CC1)CC(=O)N1CCOCC1
• InChI: InChI=1S/C16H26N4O2/c1-2-19-8-5-17-16(19)14-3-6-18(7-4-14)13-15(21)20-9-11-22-12-10-20/h5,8,14H,2-4,6-7,9-13H2,1H3
• InChIKey: JCIYYLUTARXVJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(1-ethyl-1H-imidazol-2-yl)piperidin-1-yl]-1-(morpholin-4-yl)ethan-1-one
• IUPAC Traditional name: 2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-1-(morpholin-4-yl)ethanone
• Synonyms: 4-{[4-(1-ethyl-1H-imidazol-2-yl)-1-piperidinyl]acetyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.8796027
• LogD (pH = 7.4): -0.50992197
• Log P: -0.055157255
• Molar Refractivity: 85.5998 cm^3
• Polarizability: 32.90676 Å^3
• Polar Surface Area: 50.6 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: 0.59
• LOG S: -1.94
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 4