2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone

C16H24N2O3 — CID 51072972

IUPAC2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2ccc(OC)cc2OC)CC1
InChIInChI=1S/C16H24N2O3/c1-4-17-7-9-18(10-8-17)16(19)11-13-5-6-14(20-2)12-15(13)21-3/h5-6,12H,4,7-11H2,1-3H3
InChIKeyGBCBFZSFUVSZHQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.41
Rot. Bonds5

About 2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone

2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 51072972) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID51072972
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2ccc(OC)cc2OC)CC1
InChIInChI=1S/C16H24N2O3/c1-4-17-7-9-18(10-8-17)16(19)11-13-5-6-14(20-2)12-15(13)21-3/h5-6,12H,4,7-11H2,1-3H3
InChIKeyGBCBFZSFUVSZHQ-UHFFFAOYSA-N
XLogP1.41
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethoxyphenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 39959114
2-(2,4-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18104397
ethyl 4-[2-(2,4-dimethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110809095
2-(2,4-dimethoxyphenyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 39948329
2-(2,4-dimethoxyphenyl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 31114132
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
CID 110806584
[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 23767133
2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9021753
2-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane
CID 143404168
1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 78821506
2-(2,5-dichloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110769554
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone (CID 51072972) is 2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(C(=O)Cc2ccc(OC)cc2OC)CC1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is GBCBFZSFUVSZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-17-7-9-18(10-8-17)16(19)11-13-5-6-14(20-2)12-15(13)21-3/h5-6,12H,4,7-11H2,1-3H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone?
2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 292.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 51072972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).