3-Benzylpiperazine-2,5-dione - CAS 5037-75-2
Catalog: |
BB055114 |
Product Name: |
3-Benzylpiperazine-2,5-dione |
CAS: |
5037-75-2 |
Synonyms: |
3-benzylpiperazine-2,5-dione; 3-Benzyl-piperazine-2,5-dione; Cyclo(Phe-Gly); 3-Benzoylpiperazine-2,5-dione; 2,5-Piperazinedione, 3-(phenylmethyl)-; 3-benzyl-piperazine-2,5dione; 3-Benzyl-2,5-piperazinedione |
IUPAC Name: | 3-benzylpiperazine-2,5-dione |
Molecular Weight: | 204.23 |
Molecular Formula: | C11H12N2O2 |
Canonical SMILES: | C1C(=O)NC(C(=O)N1)CC2=CC=CC=C2 |
InChI: | InChI=1S/C11H12N2O2/c14-10-7-12-11(15)9(13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,15)(H,13,14) |
InChI Key: | UZOJHXFWJFSFAI-UHFFFAOYSA-N |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.08987763 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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