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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Related Compounds

Pyrrolidine-2,5-dione, 1-dimethylamino-3-(1-piperidinyl)-
CID 574220
2-[4-(1-Methyl-2,5-dioxopyrrolidin-3-yl)piperazin-1-yl]acetamide
CID 3631511
3-(4-Ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2989013
Piperazine, 1-methyl-4-((2-oxo-1-pyrrolidinyl)acetyl)-
CID 133525
1-(1-Methyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide
CID 2859665
1-Methyl-3-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}-2,5-pyrrolidinedione
CID 2877498
1-Ethyl-3-morpholinopyrrolidine-2,5-dione
CID 2942382
2-[4-(1-ethyl-2,5-dioxo-3-pyrrolidinyl)-1-piperazinyl]-N-isopropylacetamide
CID 2983546
1-Methyl-3-[4-(pyrrolidin-1-ylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 3241858
3-Methyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione
CID 127038269
3,3-Dimethyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione
CID 127039282
1-(Propan-2-yl)-3-(propylamino)pyrrolidine-2,5-dione
CID 43636065

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).