1-(3-azidopropyl)piperidine-2,6-dione

C8H12N4O2 — CID 61396596

IUPAC1-(3-azidopropyl)piperidine-2,6-dione
SMILES[N-]=[N+]=NCCCN1C(=O)CCCC1=O
InChIInChI=1S/C8H12N4O2/c9-11-10-5-2-6-12-7(13)3-1-4-8(12)14/h1-6H2
InChIKeyWJOVZBNZURVGRQ-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.23
Rot. Bonds4

About 1-(3-azidopropyl)piperidine-2,6-dione

1-(3-azidopropyl)piperidine-2,6-dione (PubChem CID 61396596) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(3-azidopropyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(3-azidopropyl)piperidine-2,6-dione
PubChem CID61396596
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name1-(3-azidopropyl)piperidine-2,6-dione
SMILES[N-]=[N+]=NCCCN1C(=O)CCCC1=O
InChIInChI=1S/C8H12N4O2/c9-11-10-5-2-6-12-7(13)3-1-4-8(12)14/h1-6H2
InChIKeyWJOVZBNZURVGRQ-UHFFFAOYSA-N
XLogP1.23
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-(3-azidopropyl)piperidine-2,6-dione?
The IUPAC name of 1-(3-azidopropyl)piperidine-2,6-dione (CID 61396596) is 1-(3-azidopropyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(3-azidopropyl)piperidine-2,6-dione?
The canonical SMILES for 1-(3-azidopropyl)piperidine-2,6-dione is [N-]=[N+]=NCCCN1C(=O)CCCC1=O.
What is the InChIKey of 1-(3-azidopropyl)piperidine-2,6-dione?
The InChIKey is WJOVZBNZURVGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-11-10-5-2-6-12-7(13)3-1-4-8(12)14/h1-6H2.
What are the key properties of 1-(3-azidopropyl)piperidine-2,6-dione?
1-(3-azidopropyl)piperidine-2,6-dione has a molecular weight of 196.21 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropyl)piperidine-2,6-dione is sourced from PubChem (CID 61396596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).