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17433-18-0 | Methanone, 1,1'-(1,4-piperazinediyl)bis[1-(4-pyridinyl)-
CAS No: 17433-18-0 Catalog No: AG001ZM8 MDL No:
Product Description
Catalog Number:
AG001ZM8
Chemical Name:
Methanone, 1,1'-(1,4-piperazinediyl)bis[1-(4-pyridinyl)-
CAS Number:
17433-18-0
Molecular Formula:
C16H16N4O2
Molecular Weight:
296.3238
IUPAC Name:
[4-(pyridine-4-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
InChI:
InChI=1S/C16H16N4O2/c21-15(13-1-5-17-6-2-13)19-9-11-20(12-10-19)16(22)14-3-7-18-8-4-14/h1-8H,9-12H2
InChI Key:
PQOCAFLVISLZNI-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)N1CCN(CC1)C(=O)c1ccncc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.33g/mol
Monoisotopic Mass:
296.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| 1D + 1D → 1D polyrotaxane, 2D + 2D → 3D interpenetrated, and 3D self-penetrated divalent metal terephthalate bis(pyridylformyl)piperazine coordination polymers. | Inorganic chemistry 20110919 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Poly[[μ(4)-bis-(4-pyridyl-carbon-yl)piperazine-κN:N':O:O']bis-(thio-cyanato-κN)cobalt(II)]. | Acta crystallographica. Section E, Structure reports online 20100601 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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