piperazine-1,4-dicarbonyl azide

C6H8N8O2 — CID 46217130

IUPACpiperazine-1,4-dicarbonyl azide
SMILES[N-]=[N+]=NC(=O)N1CCN(C(=O)N=[N+]=[N-])CC1
InChIInChI=1S/C6H8N8O2/c7-11-9-5(15)13-1-2-14(4-3-13)6(16)10-12-8/h1-4H2
InChIKeyCIRGFAVWWMBZQO-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.46
Rot. Bonds

About piperazine-1,4-dicarbonyl azide

piperazine-1,4-dicarbonyl azide (PubChem CID 46217130) has the molecular formula C6H8N8O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is piperazine-1,4-dicarbonyl azide.

Molecular Properties

Compound Namepiperazine-1,4-dicarbonyl azide
PubChem CID46217130
Molecular FormulaC6H8N8O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Namepiperazine-1,4-dicarbonyl azide
SMILES[N-]=[N+]=NC(=O)N1CCN(C(=O)N=[N+]=[N-])CC1
InChIInChI=1S/C6H8N8O2/c7-11-9-5(15)13-1-2-14(4-3-13)6(16)10-12-8/h1-4H2
InChIKeyCIRGFAVWWMBZQO-UHFFFAOYSA-N
XLogP1.46
TPSA138.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperazine-1,4-dicarbonyl azide?
The IUPAC name of piperazine-1,4-dicarbonyl azide (CID 46217130) is piperazine-1,4-dicarbonyl azide.
What is the SMILES notation for piperazine-1,4-dicarbonyl azide?
The canonical SMILES for piperazine-1,4-dicarbonyl azide is [N-]=[N+]=NC(=O)N1CCN(C(=O)N=[N+]=[N-])CC1.
What is the InChIKey of piperazine-1,4-dicarbonyl azide?
The InChIKey is CIRGFAVWWMBZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N8O2/c7-11-9-5(15)13-1-2-14(4-3-13)6(16)10-12-8/h1-4H2.
What are the key properties of piperazine-1,4-dicarbonyl azide?
piperazine-1,4-dicarbonyl azide has a molecular weight of 224.18 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-1,4-dicarbonyl azide is sourced from PubChem (CID 46217130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).