4-(azetidin-3-ylmethyl)piperazine-2,6-dione

C8H13N3O2 — CID 130530858

IUPAC4-(azetidin-3-ylmethyl)piperazine-2,6-dione
SMILESO=C1CN(CC2CNC2)CC(=O)N1
InChIInChI=1S/C8H13N3O2/c12-7-4-11(5-8(13)10-7)3-6-1-9-2-6/h6,9H,1-5H2,(H,10,12,13)
InChIKeyBVLAIWXKMRJUCL-UHFFFAOYSA-N
MW183.21 g/mol
LogP-1.84
Rot. Bonds2

About 4-(azetidin-3-ylmethyl)piperazine-2,6-dione

4-(azetidin-3-ylmethyl)piperazine-2,6-dione (PubChem CID 130530858) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(azetidin-3-ylmethyl)piperazine-2,6-dione
PubChem CID130530858
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-(azetidin-3-ylmethyl)piperazine-2,6-dione
SMILESO=C1CN(CC2CNC2)CC(=O)N1
InChIInChI=1S/C8H13N3O2/c12-7-4-11(5-8(13)10-7)3-6-1-9-2-6/h6,9H,1-5H2,(H,10,12,13)
InChIKeyBVLAIWXKMRJUCL-UHFFFAOYSA-N
XLogP-1.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethyl)piperazine-2,6-dione?
The IUPAC name of 4-(azetidin-3-ylmethyl)piperazine-2,6-dione (CID 130530858) is 4-(azetidin-3-ylmethyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(azetidin-3-ylmethyl)piperazine-2,6-dione?
The canonical SMILES for 4-(azetidin-3-ylmethyl)piperazine-2,6-dione is O=C1CN(CC2CNC2)CC(=O)N1.
What is the InChIKey of 4-(azetidin-3-ylmethyl)piperazine-2,6-dione?
The InChIKey is BVLAIWXKMRJUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c12-7-4-11(5-8(13)10-7)3-6-1-9-2-6/h6,9H,1-5H2,(H,10,12,13).
What are the key properties of 4-(azetidin-3-ylmethyl)piperazine-2,6-dione?
4-(azetidin-3-ylmethyl)piperazine-2,6-dione has a molecular weight of 183.21 g/mol, XLogP of -1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethyl)piperazine-2,6-dione is sourced from PubChem (CID 130530858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).