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

C₈H₁₃N₃O₂ — CID 130727858

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 Name: 1-(1-methylazetidin-3-yl)piperazine-2,6-dione
• PubChem CID: 130727858
• Molecular Formula: C₈H₁₃N₃O₂
• Molecular Weight: 183.21 g/mol
• Exact Mass: 183.10
• IUPAC Name: 1-(1-methylazetidin-3-yl)piperazine-2,6-dione
• SMILES: CN1CC(N2C(=O)CNCC2=O)C1
• InChI: InChI=1S/C8H13N3O2/c1-10-4-6(5-10)11-7(12)2-9-3-8(11)13/h6,9H,2-5H2,1H3
• InChIKey: VOIJAYLOYBMTDH-UHFFFAOYSA-N
• XLogP: -1.74
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	183.21
LogP ≤ 5	-1.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

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).

Sources

• PubChem CID 130727858 — identifiers, structure, computed properties (public domain)

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