2-(4-ethylpiperazin-1-yl)-1-piperazin-1-ylethanone

C12H24N4O — CID 24708053

IUPAC2-(4-ethylpiperazin-1-yl)-1-piperazin-1-ylethanone
SMILESCCN1CCN(CC(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H24N4O/c1-2-14-7-9-15(10-8-14)11-12(17)16-5-3-13-4-6-16/h13H,2-11H2,1H3
InChIKeyUIBJEYWKQXSMLO-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.94
Rot. Bonds3

About 2-(4-ethylpiperazin-1-yl)-1-piperazin-1-ylethanone

2-(4-ethylpiperazin-1-yl)-1-piperazin-1-ylethanone (PubChem CID 24708053) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-1-piperazin-1-ylethanone
PubChem CID24708053
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-(4-ethylpiperazin-1-yl)-1-piperazin-1-ylethanone
SMILESCCN1CCN(CC(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H24N4O/c1-2-14-7-9-15(10-8-14)11-12(17)16-5-3-13-4-6-16/h13H,2-11H2,1H3
InChIKeyUIBJEYWKQXSMLO-UHFFFAOYSA-N
XLogP-0.94
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-piperazin-1-ylethanone (CID 24708053) is 2-(4-ethylpiperazin-1-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-1-piperazin-1-ylethanone is CCN1CCN(CC(=O)N2CCNCC2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-1-piperazin-1-ylethanone?
The InChIKey is UIBJEYWKQXSMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-2-14-7-9-15(10-8-14)11-12(17)16-5-3-13-4-6-16/h13H,2-11H2,1H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-1-piperazin-1-ylethanone?
2-(4-ethylpiperazin-1-yl)-1-piperazin-1-ylethanone has a molecular weight of 240.35 g/mol, XLogP of -0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 24708053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).