Chemical identity

(3S,6S)-3,6-Diisobutylpiperazine-2,5-dione

CAS 952-45-4 · C12H22N2O2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-00324
PubChem CID192731
Name(3S,6S)-3,6-Diisobutylpiperazine-2,5-dione
CAS RN952-45-4
Molecular formulaC12H22N2O2
Molecular weight226.32 g/mol
IUPAC name(3S,6S)-3,6-Diisobutylpiperazine-2,5-dione
InChIKeyXWYXUMDVQIOAPR-UWVGGRQHSA-N

02Structure identifiers

2D structurePubChem CID 192731
Two-dimensional chemical structure of (3S,6S)-3,6-Diisobutylpiperazine-2,5-dione, CAS 952-45-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C
InChINot listed
Formula from structureC12H22N2O2
Molecular weight from structure226.32 g/mol

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 952-45-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 952-45-4 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Leucine

View associated product family

Other names

  • Cyclo(L-leucyl-L-leucyl)
  • (3S,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
  • (3S,6S)-3,6-diisobutylpiperazine-2,5-dione
  • CHEBI:67269
  • RefChem:1082404
  • 952-45-4
  • Cycloleucylleucine
  • Cyclo-leu-leu
  • cyclo(L-Leu-L-Leu)
  • (3S,6S)-3,6-Bis(2-methylpropyl)-2,5-piperazinedione
  • cyclodi-L-leucine
  • CLL

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources