2,5-Piperazinedione
PubChem CID: 7817
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| Compound Synonyms | Piperazine-2,5-dione, 2,5-Piperazinedione, 106-57-0, GLYCINE ANHYDRIDE, 2,5-DIKETOPIPERAZINE, 2,5-Dioxopiperazine, Cycloglycylglycine, Cyclodiglycine, Glycylglycine lactam, Cyclo(glycylglycyl), Diglycolyl diamide, diglycolyldiamide, Glycine, bimol. cyclic peptide, Cyclic(glycylglycyl), MFCD00006009, Piperazinedione, Glycine, N-glycyl-, cyclic peptide, EINECS 203-411-5, NSC 26345, UNII-240L69DTV7, BRN 0112112, .alpha.,.gamma.-Diacipiperazine, CHEBI:16535, NSC-26345, DTXSID8059342, 240L69DTV7, 2,5-PIPERAZINEDIONE [MI], 5-24-05-00294 (Beilstein Handbook Reference), NSC26345, Piperazine-2,5-dione (Glycine Anhydride), alpha,gamma-Diacipiperazine, Glycine Anhydride(2,5-Piperazinedione), Glycocoll Anhydride, cyclo-(Gly-Gly), 2,5Dioxopiperazine, 2,5diketopiperazine, Glycine, cyclic peptide, piperazine-2,5-quinone, alpha,gammaDiacipiperazine, SCHEMBL66638, CHEMBL125229, DTXCID5032997, Glycine, Nglycyl, cyclic peptide, 2,5-Diazacyclohexane-1,4-dione, Glycine anhydride, cyclic dipeptide, BCP20475, STK741583, TETRAHYDRO-2,5-PYRAZINEDIONE, AKOS001056505, Glycine anhydride, 2,5-Piperazinedione, FD05300, PS-4716, SY011208, CS-0046695, EU-0051025, G0100, NS00015771, CYCLO-GLYCYLGLYCINE (3,3,6,6-D4), EN300-16993, C02777, F11382, AC-907/30002028, BRD-K95941975-001-01-5, Q27101960, Z56854487, F0278-0016 |
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| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 58.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC(C)CC1 |
| Np Classifier Class | Dipeptides, Simple diketopiperazine alkaloids |
| Deep Smiles | O=CNCC=O)NC6 |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | OC1CNC(O)CN1 |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | piperazine-2,5-dione |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -1.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H6N2O2 |
| Scaffold Graph Node Bond Level | O=C1CNC(=O)CN1 |
| Inchi Key | BXRNXXXXHLBUKK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 25-diketopiperazine |
| Esol Class | Highly soluble |
| Functional Groups | CNC(C)=O |
| Compound Name | 2,5-Piperazinedione |
| Exact Mass | 114.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 114.043 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 114.1 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7) |
| Smiles | C1C(=O)NCC(=O)N1 |
| Np Classifier Biosynthetic Pathway | Alkaloids, Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Peptide alkaloids, Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Theobroma Cacao (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16131134