4-(3-azidopropyl)piperazine-2,6-dione

C7H11N5O2 — CID 66084230

IUPAC4-(3-azidopropyl)piperazine-2,6-dione
SMILES[N-]=[N+]=NCCCN1CC(=O)NC(=O)C1
InChIInChI=1S/C7H11N5O2/c8-11-9-2-1-3-12-4-6(13)10-7(14)5-12/h1-5H2,(H,10,13,14)
InChIKeyQIIBMQGDJXGNIE-UHFFFAOYSA-N
MW197.20 g/mol
LogP-0.35
Rot. Bonds4

About 4-(3-azidopropyl)piperazine-2,6-dione

4-(3-azidopropyl)piperazine-2,6-dione (PubChem CID 66084230) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 4-(3-azidopropyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-azidopropyl)piperazine-2,6-dione
PubChem CID66084230
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name4-(3-azidopropyl)piperazine-2,6-dione
SMILES[N-]=[N+]=NCCCN1CC(=O)NC(=O)C1
InChIInChI=1S/C7H11N5O2/c8-11-9-2-1-3-12-4-6(13)10-7(14)5-12/h1-5H2,(H,10,13,14)
InChIKeyQIIBMQGDJXGNIE-UHFFFAOYSA-N
XLogP-0.35
TPSA98.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(3-azidopropyl)-3-ethylpiperazine-2,6-dione
CID 66069154
4-propylpiperazine-2,6-dione
CID 63787682
5-(3,5-dioxopiperazin-1-yl)pentanenitrile
CID 66085661
8-(3-azidopropyl)-8-azaspiro[4.5]decane
CID 55219015
2-[4-(3-azidopropyl)piperazin-1-yl]ethanol
CID 55139368
1-(3-azidopropyl)pyridin-2-one
CID 61396635
1-(3-azidopropyl)piperidine-2,6-dione
CID 61396596
4-(6-amino-5,5-dimethylhexyl)piperazine-2,6-dione
CID 106708160
1-(3-azidopropyl)-3,5-dimethylpiperidine
CID 61396749
3-(3,5-dioxopiperazin-1-yl)propanoic acid
CID 66085521
3-(3,5-dioxopiperazin-1-yl)propanehydrazide
CID 66061045
1-(3-azidopropyl)-4-tert-butylpiperazine
CID 61430331

Frequently Asked Questions

What is the IUPAC name of 4-(3-azidopropyl)piperazine-2,6-dione?
The IUPAC name of 4-(3-azidopropyl)piperazine-2,6-dione (CID 66084230) is 4-(3-azidopropyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(3-azidopropyl)piperazine-2,6-dione?
The canonical SMILES for 4-(3-azidopropyl)piperazine-2,6-dione is [N-]=[N+]=NCCCN1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(3-azidopropyl)piperazine-2,6-dione?
The InChIKey is QIIBMQGDJXGNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c8-11-9-2-1-3-12-4-6(13)10-7(14)5-12/h1-5H2,(H,10,13,14).
What are the key properties of 4-(3-azidopropyl)piperazine-2,6-dione?
4-(3-azidopropyl)piperazine-2,6-dione has a molecular weight of 197.20 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azidopropyl)piperazine-2,6-dione is sourced from PubChem (CID 66084230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).