(3S,6S)-3-((R)-sec-Butyl)-6-isopropylpiperazine-2,5-dione
PubChem CID: 129373409
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| Compound Synonyms | (3S,6S)-3-((R)-sec-Butyl)-6-isopropylpiperazine-2,5-dione |
|---|---|
| Topological Polar Surface Area | 58.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 263.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3S,6S)-3-[(2R)-butan-2-yl]-6-propan-2-ylpiperazine-2,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C11H20N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XIQXUFYJMBDYSU-VGMNWLOBSA-N |
| Fcsp3 | 0.8181818181818182 |
| Logs | -1.795 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.426 |
| Compound Name | (3S,6S)-3-((R)-sec-Butyl)-6-isopropylpiperazine-2,5-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 212.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.152 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 212.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4891166 |
| Inchi | InChI=1S/C11H20N2O2/c1-5-7(4)9-11(15)12-8(6(2)3)10(14)13-9/h6-9H,5H2,1-4H3,(H,12,15)(H,13,14)/t7-,8+,9+/m1/s1 |
| Smiles | CC[C@@H](C)[C@H]1C(=O)N[C@H](C(=O)N1)C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients