1-ethyl-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione

C12H21N3O2 — CID 2991391

IUPAC1-ethyl-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCCN1CCN(C2CC(=O)N(CC)C2=O)CC1
InChIInChI=1S/C12H21N3O2/c1-3-13-5-7-14(8-6-13)10-9-11(16)15(4-2)12(10)17/h10H,3-9H2,1-2H3
InChIKeyPPCBGCXTKTYXCZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.23
Rot. Bonds3

About 1-ethyl-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione

1-ethyl-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione (PubChem CID 2991391) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-ethyl-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
PubChem CID2991391
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-ethyl-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCCN1CCN(C2CC(=O)N(CC)C2=O)CC1
InChIInChI=1S/C12H21N3O2/c1-3-13-5-7-14(8-6-13)10-9-11(16)15(4-2)12(10)17/h10H,3-9H2,1-2H3
InChIKeyPPCBGCXTKTYXCZ-UHFFFAOYSA-N
XLogP-0.23
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
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 1-ethyl-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione (CID 2991391) is 1-ethyl-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione is CCN1CCN(C2CC(=O)N(CC)C2=O)CC1.
What is the InChIKey of 1-ethyl-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is PPCBGCXTKTYXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-13-5-7-14(8-6-13)10-9-11(16)15(4-2)12(10)17/h10H,3-9H2,1-2H3.
What are the key properties of 1-ethyl-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione?
1-ethyl-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 239.32 g/mol, XLogP of -0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2991391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).