1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone

C19H24N2OS — CID 120739990

IUPAC1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
SMILESCCc1ccc(C2CNCCN2C(=O)Cc2ccc(C)s2)cc1
InChIInChI=1S/C19H24N2OS/c1-3-15-5-7-16(8-6-15)18-13-20-10-11-21(18)19(22)12-17-9-4-14(2)23-17/h4-9,18,20H,3,10-13H2,1-2H3
InChIKeyQQLMVSNSFIPJOO-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.33
Rot. Bonds4

About 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone

1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone (PubChem CID 120739990) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
PubChem CID120739990
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
SMILESCCc1ccc(C2CNCCN2C(=O)Cc2ccc(C)s2)cc1
InChIInChI=1S/C19H24N2OS/c1-3-15-5-7-16(8-6-15)18-13-20-10-11-21(18)19(22)12-17-9-4-14(2)23-17/h4-9,18,20H,3,10-13H2,1-2H3
InChIKeyQQLMVSNSFIPJOO-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 120741698
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120741686
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone
CID 120741179
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride
CID 120740892
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 120740374
2-(1,2-benzoxazol-3-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120740495
2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120741617
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
1-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 120740298

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone (CID 120739990) is 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone is CCc1ccc(C2CNCCN2C(=O)Cc2ccc(C)s2)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone?
The InChIKey is QQLMVSNSFIPJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-3-15-5-7-16(8-6-15)18-13-20-10-11-21(18)19(22)12-17-9-4-14(2)23-17/h4-9,18,20H,3,10-13H2,1-2H3.
What are the key properties of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone?
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone has a molecular weight of 328.48 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 120739990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).