2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone

C11H22N2O2 — CID 64590973

IUPAC2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone
SMILESCCOCC(=O)N1CCN(CC)C(C)C1
InChIInChI=1S/C11H22N2O2/c1-4-12-6-7-13(8-10(12)3)11(14)9-15-5-2/h10H,4-9H2,1-3H3
InChIKeyVJYRMFDTKGFTCM-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.58
Rot. Bonds4

About 2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone

2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone (PubChem CID 64590973) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone
PubChem CID64590973
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone
SMILESCCOCC(=O)N1CCN(CC)C(C)C1
InChIInChI=1S/C11H22N2O2/c1-4-12-6-7-13(8-10(12)3)11(14)9-15-5-2/h10H,4-9H2,1-3H3
InChIKeyVJYRMFDTKGFTCM-UHFFFAOYSA-N
XLogP0.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxyethanone
CID 103846848
1-(4-ethyl-3-methylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112605165
1-(4-ethyl-3-methylpiperazin-1-yl)-2-piperidin-4-yloxyethanone
CID 63876074
4-amino-1-(4-ethyl-3-methylpiperazin-1-yl)butan-1-one
CID 63634215
2-(tert-butylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 79256800
4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65300311
1-(2-ethoxyacetyl)-3-methylpiperidin-4-one
CID 114499683
1-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxypropan-1-one
CID 112704602
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone
CID 2163030
2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one
CID 63633519
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 114829252
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
CID 60637524

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone (CID 64590973) is 2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone is CCOCC(=O)N1CCN(CC)C(C)C1.
What is the InChIKey of 2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone?
The InChIKey is VJYRMFDTKGFTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-12-6-7-13(8-10(12)3)11(14)9-15-5-2/h10H,4-9H2,1-3H3.
What are the key properties of 2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone?
2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone has a molecular weight of 214.31 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 64590973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).