1-(Pyrrolidinocarbonylmethyl)piperazine - ≥95% , CAS No.39890-45-4

CAS: 39890-45-4 Cat. No.: P303652 Molecular Weight: 197.28 EC Number: 254-677-4 PubChem CID: 100614

GRADE & PURITY ≥95%

Synonyms

1-[2-(piperazin-1-yl)-acetyl]-pyrrolidine | 1-pyrrolidinocarbonylmethylpiperazine | MLS001332636 | NSC330748 | NSC-330748 | Pyrrolidine, 1-[1-piperazinylacetyl]- | DS-1490 | FT-0605874 | MFCD00005968 | (piperazin-1-yl)acetyl pyrrolidine | 1-(1-piperazinyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

1-[2-(piperazin-1-yl)-acetyl]-pyrrolidine | 1-pyrrolidinocarbonylmethylpiperazine | MLS001332636 | NSC330748 | NSC-330748 | Pyrrolidine, 1-[1-piperazinylacetyl]- | DS-1490 | FT-0605874 | MFCD00005968 | (piperazin-1-yl)acetyl pyrrolidine | 1-(1-piperazinyl

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504756462
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756462
• Canonical Smiles: C1CCN(C1)C(=O)CN2CCNCC2
• IUPAC Name: 2-piperazin-1-yl-1-pyrrolidin-1-ylethanone
• InChIKey: KYBCXTTWIOZBNR-UHFFFAOYSA-N
• INCHI: 1S/C10H19N3O/c14-10(13-5-1-2-6-13)9-12-7-3-11-4-8-12/h11H,1-9H2
• Isomeric SMILES: C1CCN(C1)C(=O)CN2CCNCC2
• PubChem CID: 100614
• Molecular Weight: 197.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-piperazineacetamides
• Alternative Parents: Alpha amino acids and derivatives N-acylpyrrolidines N-alkylpiperazines Tertiary carboxylic acid amides Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - N-piperazineacetamide - N-acylpyrrolidine - N-alkylpiperazine - Pyrrolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Secondary amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-piperazineacetamides. These are heterocyclic compounds containing a piperazine ring, which N-substituted with an acetamide group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Cavia porcellus (23802 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 75°C
• Molecular Weight: 197.280 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 197.153 Da
• Monoisotopic Mass: 197.153 Da
• Topological Polar Surface Area: 35.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 196.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1