Chemical identity

2-methyl-1-(piperazin-1-yl)propan-1-one

CAS 59878-57-8 · C8H14N2O

01Identity

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

Lazychem IDLC-23986
PubChem CID2064235
Name2-methyl-1-(piperazin-1-yl)propan-1-one
CAS RN59878-57-8
Molecular formulaC8H14N2O
Molecular weight154.21 g/mol
IUPAC namecyclopropyl(piperazin-1-yl)methanone
InChIKeyKIALFUYSJAAJSU-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 2064235
Two-dimensional chemical structure of 2-methyl-1-(piperazin-1-yl)propan-1-one, CAS 59878-57-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count2
Secondary amines1
Tertiary amines0
N-methyl amine sites0
SMILESC1CC1C(=O)N2CCNCC2
InChINot listed
Formula from structureC8H14N2O
Molecular weight from structure154.21 g/mol

03Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site1 candidate
Chemical structure of 2-methyl-1-(piperazin-1-yl)propan-1-one with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from 2-methyl-1-(piperazin-1-yl)propan-1-one, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C8H13N3O2
Candidate SMILES
O=NN1CCN(C(=O)C2CC2)CC1

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

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 59878-57-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 59878-57-8 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

Olaparib

View API and impurity family

Other names

  • Olaparib Impurity 61
  • 2-methyl-1-(piperazin-1-yl)propan-1-one
  • 1-(Cyclopropylcarbonyl)piperazine
  • RefChem:427575
  • 626-499-0
  • 59878-57-8
  • cyclopropyl(piperazin-1-yl)methanone
  • 1-cyclopropanecarbonylpiperazine
  • MFCD06369645
  • Piperazine, 1-(cyclopropylcarbonyl)-
  • CHEMBL3329525
  • N-(Cyclopropylcarbonyl)piperazine

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