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

C16H23N3O2 — CID 108996156

IUPAC1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone
SMILESCCc1ccccc1NCC(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C16H23N3O2/c1-3-14-6-4-5-7-15(14)17-12-16(21)19-10-8-18(9-11-19)13(2)20/h4-7,17H,3,8-12H2,1-2H3
InChIKeyZVPLTUZQPNBABX-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.35
Rot. Bonds4

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

1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone (PubChem CID 108996156) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone
PubChem CID108996156
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone
SMILESCCc1ccccc1NCC(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C16H23N3O2/c1-3-14-6-4-5-7-15(14)17-12-16(21)19-10-8-18(9-11-19)13(2)20/h4-7,17H,3,8-12H2,1-2H3
InChIKeyZVPLTUZQPNBABX-UHFFFAOYSA-N
XLogP1.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28583393
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173
2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 43015996
4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide
CID 7603287
2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide
CID 60536680
N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]benzamide
CID 60539008
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-ethylanilino)ethanone
CID 109005439
2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002140
2-ethyl-N-(2-methylprop-2-enyl)aniline
CID 60679757
2-(2-iodoanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28878586
ethyl 2-(2-ethylanilino)acetate
CID 28583397
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone (CID 108996156) is 1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone is CCc1ccccc1NCC(=O)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone?
The InChIKey is ZVPLTUZQPNBABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-14-6-4-5-7-15(14)17-12-16(21)19-10-8-18(9-11-19)13(2)20/h4-7,17H,3,8-12H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone has a molecular weight of 289.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone is sourced from PubChem (CID 108996156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).