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

• ChemBase ID: 502831
• Molecular Formular: C19H26N4O3
• Molecular Mass: 358.43474
• Monoisotopic Mass: 358.20049071
• SMILES: c1(C(=O)N2CC(Cn3cncc3)CCC2)cc(oc1)CN1CCOCC1
• Canonical SMILES: O=C(c1coc(c1)CN1CCOCC1)N1CCCC(C1)Cn1cncc1
• InChI: InChI=1S/C19H26N4O3/c24-19(17-10-18(26-14-17)13-21-6-8-25-9-7-21)23-4-1-2-16(12-23)11-22-5-3-20-15-22/h3,5,10,14-16H,1-2,4,6-9,11-13H2
• InChIKey: IEIAKZUSJWXNNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.3909698
• LogD (pH = 7.4): 0.39706916
• Log P: 0.4716272
• Molar Refractivity: 99.0296 cm^3
• Polarizability: 37.481815 Å^3
• Polar Surface Area: 63.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.51
• LOG S: -2.69
• Polar Surface Area: 63.74 Å^2
• Rotatable Bonds: 5