| CAS Number | 39585-46-1 |
| Catalog Number | AG00I7SA(AGN-PC-0WP1M3) |
| Chemical Name | 1-Benzoyl-4-[(4-benzoylpiperazin-1-yl)methyl]piperazine |
| IUPAC Name | [4-[(4-benzoylpiperazin-1-yl)methyl]piperazin-1-yl]-phenylmethanone |
| InChI | InChI=1S/C23H28N4O2/c28-22(20-7-3-1-4-8-20)26-15-11-24(12-16-26)19-25-13-17-27(18-14-25)23(29)21-9-5-2-6-10-21/h1-10H,11-19H2 |
| InChI Key | BNWGXLOMAVIEAG-UHFFFAOYSA-N |
| MDL Number | MFCD00693518 |
| Molecular Formula | C23H28N4O2 |
| Molecular Weight | 392.4940 |
| SMILES | O=C(c1ccccc1)N1CCN(CC1)CN1CCN(CC1)C(=O)c1ccccc1 |
| Synonyms | 1-benzoyl-4-[(4-benzoylpiperazin-1-yl)methyl]piperazine,
39585-46-1,
CBDivE_013806,
AC1LLKSP,
Oprea1_304517,
STK506910,
ZINC19300950,
AKOS001021912,
MCULE-7531208052,
ST51063348,
(methanediyldipiperazine-4,1-diyl)bis(phenylmethanone),
(4,4'-Methylenebis(piperazine-4,1-diyl))bis(phenylmethanone),
[4-[(4-benzoylpiperazin-1-yl)methyl]piperazin-1-yl]-phenylmethanone,
phenyl 4-{[4-(phenylcarbonyl)piperazinyl]methyl}piperazinyl ketone,
BNWGXLOMAVIEAG-UHFFFAOYSA-N,
CID1069052,
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| Complexity | 493 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 392.221g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 392.503g/mol |
| Monoisotopic Mass | 392.221g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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