3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperazine-2,6-dione

C12H21N3O2 — CID 107913510

IUPAC3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperazine-2,6-dione
SMILESCCC1NCC(=O)N(CCN2CCCC2)C1=O
InChIInChI=1S/C12H21N3O2/c1-2-10-12(17)15(11(16)9-13-10)8-7-14-5-3-4-6-14/h10,13H,2-9H2,1H3
InChIKeyXLLQGRUTDIPCKX-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.18
Rot. Bonds4

About 3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperazine-2,6-dione

3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperazine-2,6-dione (PubChem CID 107913510) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperazine-2,6-dione
PubChem CID107913510
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperazine-2,6-dione
SMILESCCC1NCC(=O)N(CCN2CCCC2)C1=O
InChIInChI=1S/C12H21N3O2/c1-2-10-12(17)15(11(16)9-13-10)8-7-14-5-3-4-6-14/h10,13H,2-9H2,1H3
InChIKeyXLLQGRUTDIPCKX-UHFFFAOYSA-N
XLogP-0.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
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 3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperazine-2,6-dione?
The IUPAC name of 3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperazine-2,6-dione (CID 107913510) is 3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperazine-2,6-dione is CCC1NCC(=O)N(CCN2CCCC2)C1=O.
What is the InChIKey of 3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperazine-2,6-dione?
The InChIKey is XLLQGRUTDIPCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-10-12(17)15(11(16)9-13-10)8-7-14-5-3-4-6-14/h10,13H,2-9H2,1H3.
What are the key properties of 3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperazine-2,6-dione?
3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperazine-2,6-dione has a molecular weight of 239.32 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperazine-2,6-dione is sourced from PubChem (CID 107913510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).