3-(5-methoxy-1-benzothiophen-2-yl)piperazin-2-one

C13H14N2O2S — CID 82666423

IUPAC3-(5-methoxy-1-benzothiophen-2-yl)piperazin-2-one
SMILESCOc1ccc2sc(C3NCCNC3=O)cc2c1
InChIInChI=1S/C13H14N2O2S/c1-17-9-2-3-10-8(6-9)7-11(18-10)12-13(16)15-5-4-14-12/h2-3,6-7,12,14H,4-5H2,1H3,(H,15,16)
InChIKeySUSVGXVOGABDOD-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.67
Rot. Bonds2

About 3-(5-methoxy-1-benzothiophen-2-yl)piperazin-2-one

3-(5-methoxy-1-benzothiophen-2-yl)piperazin-2-one (PubChem CID 82666423) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-(5-methoxy-1-benzothiophen-2-yl)piperazin-2-one.

Molecular Properties

Compound Name3-(5-methoxy-1-benzothiophen-2-yl)piperazin-2-one
PubChem CID82666423
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3-(5-methoxy-1-benzothiophen-2-yl)piperazin-2-one
SMILESCOc1ccc2sc(C3NCCNC3=O)cc2c1
InChIInChI=1S/C13H14N2O2S/c1-17-9-2-3-10-8(6-9)7-11(18-10)12-13(16)15-5-4-14-12/h2-3,6-7,12,14H,4-5H2,1H3,(H,15,16)
InChIKeySUSVGXVOGABDOD-UHFFFAOYSA-N
XLogP1.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-(5-methoxy-1-benzothiophen-2-yl)-1,4-oxazepane
CID 82666659
2,5-dimethoxy-1-benzothiophene
CID 69101358
ethane;3-(4-methoxyphenyl)-1,4-diazepan-2-one
CID 171840578
2-bromo-5-methoxy-1-benzothiophene
CID 74891301
5-methoxy-2-[(5-methoxy-1-benzothiophen-2-yl)sulfinyl]-1-benzothiophene
CID 170556365
1-(5-methoxy-1-benzothiophen-2-yl)piperazine
CID 82623074
(3R)-3-thiophen-2-ylpiperazin-2-one
CID 52539209
3-naphthalen-2-ylpiperazin-2-one
CID 62349991
(5-methoxy-1-benzothiophen-2-yl)methanamine
CID 82605307
(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one
CID 94827666
3-(4-ethoxyphenyl)piperazin-2-one
CID 62352288
2-(4-methoxyphenyl)thiomorpholin-3-one
CID 14480955

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1-benzothiophen-2-yl)piperazin-2-one?
The IUPAC name of 3-(5-methoxy-1-benzothiophen-2-yl)piperazin-2-one (CID 82666423) is 3-(5-methoxy-1-benzothiophen-2-yl)piperazin-2-one.
What is the SMILES notation for 3-(5-methoxy-1-benzothiophen-2-yl)piperazin-2-one?
The canonical SMILES for 3-(5-methoxy-1-benzothiophen-2-yl)piperazin-2-one is COc1ccc2sc(C3NCCNC3=O)cc2c1.
What is the InChIKey of 3-(5-methoxy-1-benzothiophen-2-yl)piperazin-2-one?
The InChIKey is SUSVGXVOGABDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-17-9-2-3-10-8(6-9)7-11(18-10)12-13(16)15-5-4-14-12/h2-3,6-7,12,14H,4-5H2,1H3,(H,15,16).
What are the key properties of 3-(5-methoxy-1-benzothiophen-2-yl)piperazin-2-one?
3-(5-methoxy-1-benzothiophen-2-yl)piperazin-2-one has a molecular weight of 262.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1-benzothiophen-2-yl)piperazin-2-one is sourced from PubChem (CID 82666423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).