2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone

C18H22N2O2S — CID 86793513

IUPAC2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone
SMILESCC(c1ccsc1)N1CCN(C(=O)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C18H22N2O2S/c1-14(16-6-11-23-13-16)19-7-9-20(10-8-19)18(22)12-15-2-4-17(21)5-3-15/h2-6,11,13-14,21H,7-10,12H2,1H3
InChIKeyWXFLMSCCXWUDGC-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.90
Rot. Bonds4

About 2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone

2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone (PubChem CID 86793513) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone
PubChem CID86793513
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone
SMILESCC(c1ccsc1)N1CCN(C(=O)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C18H22N2O2S/c1-14(16-6-11-23-13-16)19-7-9-20(10-8-19)18(22)12-15-2-4-17(21)5-3-15/h2-6,11,13-14,21H,7-10,12H2,1H3
InChIKeyWXFLMSCCXWUDGC-UHFFFAOYSA-N
XLogP2.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one
CID 99625769
cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 86793524
2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanethioamide
CID 63339604
2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanenitrile
CID 63337850
N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 78831379
(3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone
CID 99627550
N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 97308581
1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride
CID 171280726
(5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 75508127
3-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]benzoic acid
CID 122032905
N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 97308401
2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]butanenitrile
CID 63337816

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone (CID 86793513) is 2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone is CC(c1ccsc1)N1CCN(C(=O)Cc2ccc(O)cc2)CC1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is WXFLMSCCXWUDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14(16-6-11-23-13-16)19-7-9-20(10-8-19)18(22)12-15-2-4-17(21)5-3-15/h2-6,11,13-14,21H,7-10,12H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone?
2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 330.45 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 86793513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).