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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Related Compounds

4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one
CID 86323546
4-(2-cyclohexylethyl)piperazine-2,6-dione
CID 63787691
4-propylpiperazine-2,6-dione
CID 63787682
4-[2-(azetidin-3-yl)ethyl]-3,3-dimethylpiperazine-2,6-dione
CID 107390973
4-(azetidin-3-ylmethyl)morpholine
CID 66596271
4-[[(3R)-5-oxopyrrolidin-3-yl]methyl]piperazin-2-one
CID 129355482
1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane
CID 156885601
4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2,6-dione
CID 79314912
3-(3,5-dioxopiperazin-1-yl)propanoic acid
CID 66085521
5-(azetidin-3-ylmethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 162741770
(3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine
CID 166507837
4-(2-aminopropyl)piperazine-2,6-dione
CID 102689066

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).