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

C9H15N5O2 — CID 66069154

IUPAC4-(3-azidopropyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1CCCN=[N+]=[N-]
InChIInChI=1S/C9H15N5O2/c1-2-7-9(16)12-8(15)6-14(7)5-3-4-11-13-10/h7H,2-6H2,1H3,(H,12,15,16)
InChIKeyIBLLYBAZNCXJRB-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.42
Rot. Bonds5

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

4-(3-azidopropyl)-3-ethylpiperazine-2,6-dione (PubChem CID 66069154) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(3-azidopropyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-azidopropyl)-3-ethylpiperazine-2,6-dione
PubChem CID66069154
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name4-(3-azidopropyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1CCCN=[N+]=[N-]
InChIInChI=1S/C9H15N5O2/c1-2-7-9(16)12-8(15)6-14(7)5-3-4-11-13-10/h7H,2-6H2,1H3,(H,12,15,16)
InChIKeyIBLLYBAZNCXJRB-UHFFFAOYSA-N
XLogP0.42
TPSA98.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.42
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

3-ethyl-4-(3-pyrrolidin-2-ylpropyl)piperazine-2,6-dione
CID 66069286
4-(3-azidopropyl)piperazine-2,6-dione
CID 66084230
4-[2-(4-aminophenyl)ethyl]-3-ethylpiperazine-2,6-dione
CID 66069831
2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetonitrile
CID 66067150
4-[3-(3-aminopyrazol-1-yl)propyl]-3-ethylpiperazine-2,6-dione
CID 66069067
2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetohydrazide
CID 66069169
4-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,2-dimethylbutanethioamide
CID 66069276
4-[(3-amino-5-bromophenyl)methyl]-3-ethylpiperazine-2,6-dione
CID 103349987
4-[2-[2-(aminomethyl)phenoxy]ethyl]-3-ethylpiperazine-2,6-dione
CID 66068300
3-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,6-dione
CID 66067235
4-(3-azidopropyl)-5-ethyl-2-methylmorpholine
CID 61424062
4-methyl-3-propylpiperazine-2,6-dione
CID 126984968

Frequently Asked Questions

What is the IUPAC name of 4-(3-azidopropyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(3-azidopropyl)-3-ethylpiperazine-2,6-dione (CID 66069154) is 4-(3-azidopropyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(3-azidopropyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(3-azidopropyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1CCCN=[N+]=[N-].
What is the InChIKey of 4-(3-azidopropyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is IBLLYBAZNCXJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-2-7-9(16)12-8(15)6-14(7)5-3-4-11-13-10/h7H,2-6H2,1H3,(H,12,15,16).
What are the key properties of 4-(3-azidopropyl)-3-ethylpiperazine-2,6-dione?
4-(3-azidopropyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 225.25 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azidopropyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66069154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).