2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone

C18H28N2O — CID 110766836

IUPAC2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H28N2O/c1-5-19-10-12-20(13-11-19)17(21)14-15-6-8-16(9-7-15)18(2,3)4/h6-9H,5,10-14H2,1-4H3
InChIKeyYSPPNNPQRAGLBH-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.69
Rot. Bonds3

About 2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone

2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 110766836) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID110766836
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H28N2O/c1-5-19-10-12-20(13-11-19)17(21)14-15-6-8-16(9-7-15)18(2,3)4/h6-9H,5,10-14H2,1-4H3
InChIKeyYSPPNNPQRAGLBH-UHFFFAOYSA-N
XLogP2.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-1-(4-ethylsulfonylpiperazin-1-yl)ethanone
CID 110804732
1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone
CID 110771210
1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone
CID 110768049
2-(4-tert-butylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110766851
N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide
CID 108884847
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867812
2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]isoindole-1,3-dione
CID 110343473
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 95613238
2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879430
2-(4-fluorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
CID 63239769
2-(4-tert-butylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 110801219
3-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]anilino]-2-methyl-3-oxopropanoic acid
CID 138001729

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone (CID 110766836) is 2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(C(=O)Cc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is YSPPNNPQRAGLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-19-10-12-20(13-11-19)17(21)14-15-6-8-16(9-7-15)18(2,3)4/h6-9H,5,10-14H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone?
2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 288.44 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110766836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).