1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride

C19H23ClN2O2S — CID 120741106

IUPAC1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2cc(C(C)=O)cs2)cc1.Cl
InChIInChI=1S/C19H22N2O2S.ClH/c1-3-14-4-6-15(7-5-14)17-11-20-8-9-21(17)19(23)18-10-16(12-24-18)13(2)22;/h4-7,10,12,17,20H,3,8-9,11H2,1-2H3;1H
InChIKeyHSEHGMYLUNBVCL-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.72
Rot. Bonds4

About 1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride

1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride (PubChem CID 120741106) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride
PubChem CID120741106
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2cc(C(C)=O)cs2)cc1.Cl
InChIInChI=1S/C19H22N2O2S.ClH/c1-3-14-4-6-15(7-5-14)17-11-20-8-9-21(17)19(23)18-10-16(12-24-18)13(2)22;/h4-7,10,12,17,20H,3,8-9,11H2,1-2H3;1H
InChIKeyHSEHGMYLUNBVCL-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride
CID 120740428
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120740518
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 120740519
1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride
CID 120739301
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
[2-(4-ethylphenyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 120740326
[2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride
CID 120741554
1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 120740108
[2-(4-ethylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride
CID 120740490
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
[2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride
CID 120740764

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride?
The IUPAC name of 1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride (CID 120741106) is 1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride is CCc1ccc(C2CNCCN2C(=O)c2cc(C(C)=O)cs2)cc1.Cl.
What is the InChIKey of 1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride?
The InChIKey is HSEHGMYLUNBVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S.ClH/c1-3-14-4-6-15(7-5-14)17-11-20-8-9-21(17)19(23)18-10-16(12-24-18)13(2)22;/h4-7,10,12,17,20H,3,8-9,11H2,1-2H3;1H.
What are the key properties of 1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride?
1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride has a molecular weight of 378.93 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride is sourced from PubChem (CID 120741106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).