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CAS 1245649-99-3

:

1,1-Dimethylethyl 4-[(2S)-2-[[(phenylmethoxy)carbonyl]amino]propyl]-1-piperazinecarboxylate

Description:
1,1-Dimethylethyl 4-[(2S)-2-[[(phenylmethoxy)carbonyl]amino]propyl]-1-piperazinecarboxylate, identified by its CAS number 1245649-99-3, is a chemical compound that features a piperazine ring, which is a six-membered heterocyclic structure containing two nitrogen atoms. This compound is characterized by the presence of a dimethyl group, which contributes to its steric properties, and a phenylmethoxycarbonyl group that enhances its lipophilicity and potential for biological activity. The (2S)-2-amino-3-methylbutanoic acid moiety indicates that it has chiral centers, which may influence its pharmacological properties and interactions with biological targets. The carboxylate functional group suggests potential for ionic interactions, while the overall structure may exhibit solubility in organic solvents. This compound may be of interest in medicinal chemistry due to its potential applications in drug development, particularly in the design of compounds that target specific receptors or enzymes. Its stability, reactivity, and biological activity would depend on the specific conditions and environments in which it is studied.
Formula:C20H31N3O4
InChI:InChI=1S/C20H31N3O4/c1-16(21-18(24)26-15-17-8-6-5-7-9-17)14-22-10-12-23(13-11-22)19(25)27-20(2,3)4/h5-9,16H,10-15H2,1-4H3,(H,21,24)/t16-/m0/s1
InChI key:InChIKey=HCHREKUQNBLKKM-INIZCTEOSA-N
SMILES:C(OC(C)(C)C)(=O)N1CCN(C[C@@H](NC(OCC2=CC=CC=C2)=O)C)CC1
Synonyms:
  • 1,1-Dimethylethyl 4-[(2S)-2-[[(phenylmethoxy)carbonyl]amino]propyl]-1-piperazinecarboxylate
  • 1-Piperazinecarboxylic acid, 4-[(2S)-2-[[(phenylmethoxy)carbonyl]amino]propyl]-, 1,1-dimethylethyl ester
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