2-ethoxy-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone

C13H22N4O2 — CID 25284873

IUPAC2-ethoxy-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCCOCC(=O)N1CCN(c2nccn2CC)CC1
InChIInChI=1S/C13H22N4O2/c1-3-15-6-5-14-13(15)17-9-7-16(8-10-17)12(18)11-19-4-2/h5-6H,3-4,7-11H2,1-2H3
InChIKeyRLUCXLKGLHZHDB-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.59
Rot. Bonds5

About 2-ethoxy-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone

2-ethoxy-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 25284873) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-ethoxy-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone
PubChem CID25284873
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-ethoxy-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCCOCC(=O)N1CCN(c2nccn2CC)CC1
InChIInChI=1S/C13H22N4O2/c1-3-15-6-5-14-13(15)17-9-7-16(8-10-17)12(18)11-19-4-2/h5-6H,3-4,7-11H2,1-2H3
InChIKeyRLUCXLKGLHZHDB-UHFFFAOYSA-N
XLogP0.59
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone (CID 25284873) is 2-ethoxy-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone is CCOCC(=O)N1CCN(c2nccn2CC)CC1.
What is the InChIKey of 2-ethoxy-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is RLUCXLKGLHZHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-15-6-5-14-13(15)17-9-7-16(8-10-17)12(18)11-19-4-2/h5-6H,3-4,7-11H2,1-2H3.
What are the key properties of 2-ethoxy-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone?
2-ethoxy-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 266.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 25284873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).