(S)-1-Benzyl-3-ethyl-2,5-piperazinedione - CAS 325145-36-6
Catalog: |
BB021322 |
Product Name: |
(S)-1-Benzyl-3-ethyl-2,5-piperazinedione |
CAS: |
325145-36-6 |
Synonyms: |
(3S)-3-ethyl-1-(phenylmethyl)piperazine-2,5-dione; (3S)-1-benzyl-3-ethylpiperazine-2,5-dione |
IUPAC Name: | (3S)-1-benzyl-3-ethylpiperazine-2,5-dione |
Description: | (S)-1-Benzyl-3-ethyl-2,5-piperazinedione (CAS# 325145-36-6) is a useful research chemical. |
Molecular Weight: | 232.28 |
Molecular Formula: | C13H16N2O2 |
Canonical SMILES: | CCC1C(=O)N(CC(=O)N1)CC2=CC=CC=C2 |
InChI: | InChI=1S/C13H16N2O2/c1-2-11-13(17)15(9-12(16)14-11)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,16)/t11-/m0/s1 |
InChI Key: | MUIKRKFOQRVJON-NSHDSACASA-N |
LogP: | 1.19030 |
Publication Number | Title | Priority Date |
WO-2009079490-A1 | Process and intermediates for the synthesis of heterocyclic substituted piperazines with cxcr3 antagonist activity | 20071218 |
EP-1948630-A2 | Novel compounds | 20051105 |
JP-2009514935-A | New compounds | 20051105 |
US-2008255150-A1 | Novel Compounds | 20051105 |
WO-2007052023-A2 | Novel compounds | 20051105 |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.121177757 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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