4-{4-[1-(propan-2-yl)-1H-imidazol-2-yl]piperidine-1-carbonyl}morpholine

• ChemBase ID: 556183
• Molecular Formular: C16H26N4O2
• Molecular Mass: 306.40324
• Monoisotopic Mass: 306.20557609
• SMILES: c1(n(ccn1)C(C)C)C1CCN(C(=O)N2CCOCC2)CC1
• Canonical SMILES: O=C(N1CCOCC1)N1CCC(CC1)c1nccn1C(C)C
• InChI: InChI=1S/C16H26N4O2/c1-13(2)20-8-5-17-15(20)14-3-6-18(7-4-14)16(21)19-9-11-22-12-10-19/h5,8,13-14H,3-4,6-7,9-12H2,1-2H3
• InChIKey: GVMAPTAFQRZIHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{4-[1-(propan-2-yl)-1H-imidazol-2-yl]piperidine-1-carbonyl}morpholine
• IUPAC Traditional name: 4-[4-(1-isopropylimidazol-2-yl)piperidine-1-carbonyl]morpholine
• Synonyms: 4-{[4-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinyl]carbonyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.085205995
• LogD (pH = 7.4): 0.55466056
• Log P: 0.58372587
• Molar Refractivity: 85.0597 cm^3
• Polarizability: 32.59982 Å^3
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.67
• LOG S: -2.01
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 2