1-(1-methylazetidin-3-yl)piperazine-2,6-dione

C8H13N3O2 — CID 130727858

IUPAC1-(1-methylazetidin-3-yl)piperazine-2,6-dione
SMILESCN1CC(N2C(=O)CNCC2=O)C1
InChIInChI=1S/C8H13N3O2/c1-10-4-6(5-10)11-7(12)2-9-3-8(11)13/h6,9H,2-5H2,1H3
InChIKeyVOIJAYLOYBMTDH-UHFFFAOYSA-N
MW183.21 g/mol
LogP-1.74
Rot. Bonds1

About 1-(1-methylazetidin-3-yl)piperazine-2,6-dione

1-(1-methylazetidin-3-yl)piperazine-2,6-dione (PubChem CID 130727858) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(1-methylazetidin-3-yl)piperazine-2,6-dione.

Molecular Properties

Compound Name1-(1-methylazetidin-3-yl)piperazine-2,6-dione
PubChem CID130727858
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-(1-methylazetidin-3-yl)piperazine-2,6-dione
SMILESCN1CC(N2C(=O)CNCC2=O)C1
InChIInChI=1S/C8H13N3O2/c1-10-4-6(5-10)11-7(12)2-9-3-8(11)13/h6,9H,2-5H2,1H3
InChIKeyVOIJAYLOYBMTDH-UHFFFAOYSA-N
XLogP-1.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(3,3-dimethylbutyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121183971
3-methyl-1-(1-methylazetidin-3-yl)pyrrole-2,5-dione
CID 131183418
10-chloro-6-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
CID 84634503
1-(1-propylazetidin-3-yl)pyrrolidine-2,5-dione
CID 121183852
6-tert-butyl-1-methylpiperazin-2-one
CID 83695429
1-methyl-4-(1-methylazetidin-3-yl)piperazin-2-one
CID 134337078
3-[1-(2-methylpropyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121183950
6-ethyl-1-methyl-1,4-diazepan-2-one
CID 135123090
3-[1-(1-cyclopropylethyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121183992
1-(2-ethylbutyl)piperazine-2,6-dione
CID 82929590
3-(azetidin-3-yl)-1-methylimidazolidine-2,4-dione
CID 83816103
2-(2-methylpropyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione
CID 117002748

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylazetidin-3-yl)piperazine-2,6-dione?
The IUPAC name of 1-(1-methylazetidin-3-yl)piperazine-2,6-dione (CID 130727858) is 1-(1-methylazetidin-3-yl)piperazine-2,6-dione.
What is the SMILES notation for 1-(1-methylazetidin-3-yl)piperazine-2,6-dione?
The canonical SMILES for 1-(1-methylazetidin-3-yl)piperazine-2,6-dione is CN1CC(N2C(=O)CNCC2=O)C1.
What is the InChIKey of 1-(1-methylazetidin-3-yl)piperazine-2,6-dione?
The InChIKey is VOIJAYLOYBMTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-10-4-6(5-10)11-7(12)2-9-3-8(11)13/h6,9H,2-5H2,1H3.
What are the key properties of 1-(1-methylazetidin-3-yl)piperazine-2,6-dione?
1-(1-methylazetidin-3-yl)piperazine-2,6-dione has a molecular weight of 183.21 g/mol, XLogP of -1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylazetidin-3-yl)piperazine-2,6-dione is sourced from PubChem (CID 130727858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).