1-[2-[4-(azetidin-3-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

C13H22N4O2 — CID 66203327

IUPAC1-[2-[4-(azetidin-3-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCN1CCN(C2CNC2)CC1
InChIInChI=1S/C13H22N4O2/c18-12-1-2-13(19)17(12)8-5-15-3-6-16(7-4-15)11-9-14-10-11/h11,14H,1-10H2
InChIKeyGPKVCPNERXOCOV-UHFFFAOYSA-N
MW266.34 g/mol
LogP-1.28
Rot. Bonds4

About 1-[2-[4-(azetidin-3-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-[4-(azetidin-3-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 66203327) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-[4-(azetidin-3-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(azetidin-3-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID66203327
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[2-[4-(azetidin-3-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCN1CCN(C2CNC2)CC1
InChIInChI=1S/C13H22N4O2/c18-12-1-2-13(19)17(12)8-5-15-3-6-16(7-4-15)11-9-14-10-11/h11,14H,1-10H2
InChIKeyGPKVCPNERXOCOV-UHFFFAOYSA-N
XLogP-1.28
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(azetidin-3-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(azetidin-3-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 66203327) is 1-[2-[4-(azetidin-3-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(azetidin-3-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(azetidin-3-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCN1CCN(C2CNC2)CC1.
What is the InChIKey of 1-[2-[4-(azetidin-3-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is GPKVCPNERXOCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c18-12-1-2-13(19)17(12)8-5-15-3-6-16(7-4-15)11-9-14-10-11/h11,14H,1-10H2.
What are the key properties of 1-[2-[4-(azetidin-3-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-[4-(azetidin-3-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 266.34 g/mol, XLogP of -1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(azetidin-3-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 66203327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).