[2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride

C18H23ClN2O2S — CID 120741554

IUPAC[2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2ccc(SC)o2)cc1.Cl
InChIInChI=1S/C18H22N2O2S.ClH/c1-3-13-4-6-14(7-5-13)15-12-19-10-11-20(15)18(21)16-8-9-17(22-16)23-2;/h4-9,15,19H,3,10-12H2,1-2H3;1H
InChIKeyHOKWMUYWVXFLOM-UHFFFAOYSA-N
MW366.91 g/mol
LogP3.77
Rot. Bonds4

About [2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride

[2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride (PubChem CID 120741554) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is [2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride
PubChem CID120741554
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC Name[2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2ccc(SC)o2)cc1.Cl
InChIInChI=1S/C18H22N2O2S.ClH/c1-3-13-4-6-14(7-5-13)15-12-19-10-11-20(15)18(21)16-8-9-17(22-16)23-2;/h4-9,15,19H,3,10-12H2,1-2H3;1H
InChIKeyHOKWMUYWVXFLOM-UHFFFAOYSA-N
XLogP3.77
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide
CID 120740627
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
[2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride
CID 120740764
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120741416
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride
CID 120879171
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120740518
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 120740519
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride?
The IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride (CID 120741554) is [2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride?
The canonical SMILES for [2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride is CCc1ccc(C2CNCCN2C(=O)c2ccc(SC)o2)cc1.Cl.
What is the InChIKey of [2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride?
The InChIKey is HOKWMUYWVXFLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S.ClH/c1-3-13-4-6-14(7-5-13)15-12-19-10-11-20(15)18(21)16-8-9-17(22-16)23-2;/h4-9,15,19H,3,10-12H2,1-2H3;1H.
What are the key properties of [2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride?
[2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride has a molecular weight of 366.91 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride is sourced from PubChem (CID 120741554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).