1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione

C9H15N3O2 — CID 130547937

IUPAC1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCNCC1)N1CCC1
InChIInChI=1S/C9H15N3O2/c13-8(11-4-1-5-11)9(14)12-6-2-10-3-7-12/h10H,1-7H2
InChIKeyGZJJXKZVDSPUMH-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.35
Rot. Bonds

About 1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione

1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione (PubChem CID 130547937) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
PubChem CID130547937
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCNCC1)N1CCC1
InChIInChI=1S/C9H15N3O2/c13-8(11-4-1-5-11)9(14)12-6-2-10-3-7-12/h10H,1-7H2
InChIKeyGZJJXKZVDSPUMH-UHFFFAOYSA-N
XLogP-1.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-2-piperazin-1-ylacetic acid
CID 2050152
1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 28507184
1-morpholin-4-yl-2-piperazin-1-ylethane-1,2-dione
CID 7131953
1-(4,4-dimethylazepan-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 65281989
1-(4-hydroxy-4-methylazepan-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 107405797
1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione
CID 43586358
1-(1,4-diazepan-1-yl)-2-(3-oxopiperazin-1-yl)ethane-1,2-dione
CID 43145084
azepan-1-yl(piperazin-1-yl)methanone;hydrochloride
CID 2992287
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 81115688
pyrrolidine-1-carbonyl piperazine-1-carboxylate
CID 169258310
1-(2-methyl-1,4-oxazepan-4-yl)-2-piperazin-1-ylethane-1,2-dione
CID 55141735
1-(5-oxo-1,4-diazepan-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 63002706

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione?
The IUPAC name of 1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione (CID 130547937) is 1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione?
The canonical SMILES for 1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione is O=C(C(=O)N1CCNCC1)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione?
The InChIKey is GZJJXKZVDSPUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c13-8(11-4-1-5-11)9(14)12-6-2-10-3-7-12/h10H,1-7H2.
What are the key properties of 1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione?
1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione has a molecular weight of 197.24 g/mol, XLogP of -1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione is sourced from PubChem (CID 130547937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).