1-(1-benzothiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one

C21H22N2O2S — CID 10546879

IUPAC1-(1-benzothiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCN(c2ccccc2O)CC1)c1csc2ccccc12
InChIInChI=1S/C21H22N2O2S/c24-19(17-15-26-21-8-4-1-5-16(17)21)9-10-22-11-13-23(14-12-22)18-6-2-3-7-20(18)25/h1-8,15,25H,9-14H2
InChIKeyCNPYMPYNOIVAMT-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.00
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one

1-(1-benzothiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 10546879) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID10546879
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name1-(1-benzothiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCN(c2ccccc2O)CC1)c1csc2ccccc12
InChIInChI=1S/C21H22N2O2S/c24-19(17-15-26-21-8-4-1-5-16(17)21)9-10-22-11-13-23(14-12-22)18-6-2-3-7-20(18)25/h1-8,15,25H,9-14H2
InChIKeyCNPYMPYNOIVAMT-UHFFFAOYSA-N
XLogP4.00
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-Hydroxy-2-(4-hydroxy-phenyl)benzo(b)thiophen-3-yl)-(4-(4-isopropylpiperazin-1-yl)-phenyl)methanone
CID 11784736
[4-(4-Benzylpiperazin-1-yl)phenyl]-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]methanone
CID 71449116
1-Benzo[b]thiophen-3-yl-3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-1-one
CID 9842861
1-(Benzo[b]thiophen-3-yl)-3-(4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl)propan-1-one
CID 10572945
2-(4-(3-(Benzo[b]thiophen-3-yl)-3-hydroxypropyl)piperazin-1-yl)phenol
CID 10619048
[6-Hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-[methyl(2-piperidin-1-ylethyl)amino]phenyl]methanone
CID 15870431
[6-Hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethylamino)phenyl]methanone
CID 15870432
1-(2,5-Dimethylthiophen-3-yl)-3-(4-(2-hydroxyphenyl)piperazin-1-yl)propan-1-one
CID 10831313
[6-Hydroxy-2-(4-hydroxy-phenyl)-benzo[b]thiophen-3-yl]-[4-(4-propyl-piperazin-1-yl)-phenyl]-methanone
CID 44389904
[4-(4-Cyclopentyl-piperazin-1-yl)-phenyl]-[6-hydroxy-2-(4-hydroxy-phenyl)-benzo[b]thiophen-3-yl]-methanone
CID 44389945
N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155526424
1-(2,5-Dimethylthiophen-3-yl)-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 25162737

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one (CID 10546879) is 1-(1-benzothiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one is O=C(CCN1CCN(c2ccccc2O)CC1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is CNPYMPYNOIVAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c24-19(17-15-26-21-8-4-1-5-16(17)21)9-10-22-11-13-23(14-12-22)18-6-2-3-7-20(18)25/h1-8,15,25H,9-14H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
1-(1-benzothiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 366.49 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 10546879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).