1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-thiophen-3-ylethanone

C19H24N2O2S — CID 112803904

IUPAC1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-thiophen-3-ylethanone
SMILESCCOc1ccc(CN2CCN(C(=O)Cc3ccsc3)CC2)cc1
InChIInChI=1S/C19H24N2O2S/c1-2-23-18-5-3-16(4-6-18)14-20-8-10-21(11-9-20)19(22)13-17-7-12-24-15-17/h3-7,12,15H,2,8-11,13-14H2,1H3
InChIKeyXQROJOFQYUHIBI-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.03
Rot. Bonds6

About 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-thiophen-3-ylethanone

1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 112803904) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-thiophen-3-ylethanone
PubChem CID112803904
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-thiophen-3-ylethanone
SMILESCCOc1ccc(CN2CCN(C(=O)Cc3ccsc3)CC2)cc1
InChIInChI=1S/C19H24N2O2S/c1-2-23-18-5-3-16(4-6-18)14-20-8-10-21(11-9-20)19(22)13-17-7-12-24-15-17/h3-7,12,15H,2,8-11,13-14H2,1H3
InChIKeyXQROJOFQYUHIBI-UHFFFAOYSA-N
XLogP3.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 55460883
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
2-(4-ethoxyphenyl)-1-[4-[(2-methylpyrimidin-5-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 139599072
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
2-(4-ethoxyphenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95348538
4-ethoxy-N-[(2R)-3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]benzamide
CID 30947583
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone;oxalic acid
CID 163329557
2-(4-ethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 17249513
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 82365897
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 6465047
5-chloro-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 54874778

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-thiophen-3-ylethanone (CID 112803904) is 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-thiophen-3-ylethanone is CCOc1ccc(CN2CCN(C(=O)Cc3ccsc3)CC2)cc1.
What is the InChIKey of 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is XQROJOFQYUHIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-2-23-18-5-3-16(4-6-18)14-20-8-10-21(11-9-20)19(22)13-17-7-12-24-15-17/h3-7,12,15H,2,8-11,13-14H2,1H3.
What are the key properties of 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-thiophen-3-ylethanone?
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 344.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 112803904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).