5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride

C18H22ClN3O2S — CID 120740428

IUPAC5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2cc(C(N)=O)cs2)cc1.Cl
InChIInChI=1S/C18H21N3O2S.ClH/c1-2-12-3-5-13(6-4-12)15-10-20-7-8-21(15)18(23)16-9-14(11-24-16)17(19)22;/h3-6,9,11,15,20H,2,7-8,10H2,1H3,(H2,19,22);1H
InChIKeyLSKJXFIVUXGPQI-UHFFFAOYSA-N
MW379.91 g/mol
LogP2.62
Rot. Bonds4

About 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride

5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride (PubChem CID 120740428) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride
PubChem CID120740428
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2cc(C(N)=O)cs2)cc1.Cl
InChIInChI=1S/C18H21N3O2S.ClH/c1-2-12-3-5-13(6-4-12)15-10-20-7-8-21(15)18(23)16-9-14(11-24-16)17(19)22;/h3-6,9,11,15,20H,2,7-8,10H2,1H3,(H2,19,22);1H
InChIKeyLSKJXFIVUXGPQI-UHFFFAOYSA-N
XLogP2.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride
CID 120741106
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120740518
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 120740519
4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
CID 120758148
[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
[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 120740222
[2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride
CID 120741554
[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 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride?
The IUPAC name of 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride (CID 120740428) is 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride?
The canonical SMILES for 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride is CCc1ccc(C2CNCCN2C(=O)c2cc(C(N)=O)cs2)cc1.Cl.
What is the InChIKey of 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride?
The InChIKey is LSKJXFIVUXGPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S.ClH/c1-2-12-3-5-13(6-4-12)15-10-20-7-8-21(15)18(23)16-9-14(11-24-16)17(19)22;/h3-6,9,11,15,20H,2,7-8,10H2,1H3,(H2,19,22);1H.
What are the key properties of 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride?
5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride has a molecular weight of 379.91 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 120740428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).