Summary

IMPPAT Phytochemical identifier: IMPHY015897

Phytochemical name: Piperazin-2-one

Synonymous chemical names:
piperazin-2-one

External chemical identifiers:
CID:231360, ZINC:ZINC000073658704, SureChEMBL:SCHEMBL5194, MolPort-000-005-917

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Chemical structure information

SMILES:
O=C1CNCCN1

InChI:
InChI=1S/C4H8N2O/c7-4-3-5-1-2-6-4/h5H,1-3H2,(H,6,7)

InChIKey:
IWELDVXSEVIIGI-UHFFFAOYSA-N

DeepSMILES:
O=CCNCCN6

Functional groups:
CNC, CNC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CNCCN1

Scaffold Graph/Node level:
OC1CNCCN1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP-Likeness score: 0.223

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Chemical structure download