4-({4-[3-(1-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]furan-2-yl}methyl)morpholine

• ChemBase ID: 350614
• Molecular Formular: C19H26N4O3
• Molecular Mass: 358.43474
• Monoisotopic Mass: 358.20049071
• SMILES: c1(C(=O)N2CC(c3n(ccn3)C)CCC2)cc(oc1)CN1CCOCC1
• Canonical SMILES: O=C(c1coc(c1)CN1CCOCC1)N1CCCC(C1)c1nccn1C
• InChI: InChI=1S/C19H26N4O3/c1-21-6-4-20-18(21)15-3-2-5-23(12-15)19(24)16-11-17(26-14-16)13-22-7-9-25-10-8-22/h4,6,11,14-15H,2-3,5,7-10,12-13H2,1H3
• InChIKey: WUQVZMUFAMLARI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({4-[3-(1-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]furan-2-yl}methyl)morpholine
• IUPAC Traditional name: 4-({4-[3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]furan-2-yl}methyl)morpholine
• Synonyms: 4-[(4-{[3-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-2-furyl)methyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.30411553
• LogD (pH = 7.4): 0.6712975
• Log P: 0.7082616
• Molar Refractivity: 98.8723 cm^3
• Polarizability: 37.40263 Å^3
• Polar Surface Area: 63.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.62
• LOG S: -2.59
• Polar Surface Area: 63.74 Å^2
• Rotatable Bonds: 4