| Canonical Smiles | C1CN(C(=O)CN1)C2=CC=CC=N2 |
|---|---|
| IUPAC Name | 1-pyridin-2-ylpiperazin-2-one |
| InChIKey | YAXQKAGUVNHYNL-UHFFFAOYSA-N |
| INCHI | 1S/C9H11N3O/c13-9-7-10-5-6-12(9)8-3-1-2-4-11-8/h1-4,10H,5-7H2 |
| Isomeric SMILES | C1CN(C(=O)CN1)C2=CC=CC=N2 |
| PubChem CID | 21865017 |
| Molecular Weight | 177.2 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinylpiperazines |
| Alternative Parents | N-arylpiperazines Alpha amino acids and derivatives Pyridines and derivatives Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinylpiperazine - N-arylpiperazine - Alpha-amino acid or derivatives - Pyridine - Imidolactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Azacycle - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring. |
| External Descriptors | Not available |
| Molecular Weight | 177.200 g/mol |
|---|---|
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 177.09 Da |
| Monoisotopic Mass | 177.09 Da |
| Topological Polar Surface Area | 45.200 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 195.000 |
| 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 |
