1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone

C15H22N2OS — CID 110771210

IUPAC1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone
SMILESCCN1CCN(C(=O)Cc2ccc(SC)cc2)CC1
InChIInChI=1S/C15H22N2OS/c1-3-16-8-10-17(11-9-16)15(18)12-13-4-6-14(19-2)7-5-13/h4-7H,3,8-12H2,1-2H3
InChIKeyQCPMGJVKQMZPTJ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.12
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone

1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone (PubChem CID 110771210) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone
PubChem CID110771210
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone
SMILESCCN1CCN(C(=O)Cc2ccc(SC)cc2)CC1
InChIInChI=1S/C15H22N2OS/c1-3-16-8-10-17(11-9-16)15(18)12-13-4-6-14(19-2)7-5-13/h4-7H,3,8-12H2,1-2H3
InChIKeyQCPMGJVKQMZPTJ-UHFFFAOYSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone
CID 110771209
1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-one
CID 82486070
2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110766836
methyl 4-[2-(4-methylsulfanylphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808896
1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone
CID 110768049
N-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide
CID 110813116
1-(4-ethylpiperazin-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one
CID 78786374
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 158497459
2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]isoindole-1,3-dione
CID 110343473
2-(4-ethylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 43227541
2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879430
1-[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 56907458

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone (CID 110771210) is 1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone is CCN1CCN(C(=O)Cc2ccc(SC)cc2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone?
The InChIKey is QCPMGJVKQMZPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-3-16-8-10-17(11-9-16)15(18)12-13-4-6-14(19-2)7-5-13/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone?
1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone has a molecular weight of 278.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 110771210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).