2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone

C15H23N3O — CID 28583393

IUPAC2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCc1ccccc1NCC(=O)N1CCN(C)CC1
InChIInChI=1S/C15H23N3O/c1-3-13-6-4-5-7-14(13)16-12-15(19)18-10-8-17(2)9-11-18/h4-7,16H,3,8-12H2,1-2H3
InChIKeyLEYZURBMGCZTMP-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.43
Rot. Bonds4

About 2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone

2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 28583393) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID28583393
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCc1ccccc1NCC(=O)N1CCN(C)CC1
InChIInChI=1S/C15H23N3O/c1-3-13-6-4-5-7-14(13)16-12-15(19)18-10-8-17(2)9-11-18/h4-7,16H,3,8-12H2,1-2H3
InChIKeyLEYZURBMGCZTMP-UHFFFAOYSA-N
XLogP1.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone
CID 108996156
2-(2-iodoanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28878586
2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 43015996
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-ethylanilino)ethanone
CID 109005439
2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109007621
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173
ethyl 2-(2-ethylanilino)acetate
CID 28583397
2-fluoro-6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]benzonitrile
CID 43580632
2-(2,6-dibromoanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 107599059
2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002140
[2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253729
2-(2-methylanilino)-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]ethanone
CID 145048899

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone (CID 28583393) is 2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone is CCc1ccccc1NCC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is LEYZURBMGCZTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-13-6-4-5-7-14(13)16-12-15(19)18-10-8-17(2)9-11-18/h4-7,16H,3,8-12H2,1-2H3.
What are the key properties of 2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone?
2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 28583393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).