4-(2-fluoro-1-benzothiophen-4-yl)piperazin-2-one

C12H11FN2OS — CID 150468595

IUPAC4-(2-fluoro-1-benzothiophen-4-yl)piperazin-2-one
SMILESO=C1CN(c2cccc3sc(F)cc23)CCN1
InChIInChI=1S/C12H11FN2OS/c13-11-6-8-9(2-1-3-10(8)17-11)15-5-4-14-12(16)7-15/h1-3,6H,4-5,7H2,(H,14,16)
InChIKeyHRHXCFHIYPRMOH-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.98
Rot. Bonds1

About 4-(2-fluoro-1-benzothiophen-4-yl)piperazin-2-one

4-(2-fluoro-1-benzothiophen-4-yl)piperazin-2-one (PubChem CID 150468595) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(2-fluoro-1-benzothiophen-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-fluoro-1-benzothiophen-4-yl)piperazin-2-one
PubChem CID150468595
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name4-(2-fluoro-1-benzothiophen-4-yl)piperazin-2-one
SMILESO=C1CN(c2cccc3sc(F)cc23)CCN1
InChIInChI=1S/C12H11FN2OS/c13-11-6-8-9(2-1-3-10(8)17-11)15-5-4-14-12(16)7-15/h1-3,6H,4-5,7H2,(H,14,16)
InChIKeyHRHXCFHIYPRMOH-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-1-benzothiophen-4-yl)piperazin-2-one?
The IUPAC name of 4-(2-fluoro-1-benzothiophen-4-yl)piperazin-2-one (CID 150468595) is 4-(2-fluoro-1-benzothiophen-4-yl)piperazin-2-one.
What is the SMILES notation for 4-(2-fluoro-1-benzothiophen-4-yl)piperazin-2-one?
The canonical SMILES for 4-(2-fluoro-1-benzothiophen-4-yl)piperazin-2-one is O=C1CN(c2cccc3sc(F)cc23)CCN1.
What is the InChIKey of 4-(2-fluoro-1-benzothiophen-4-yl)piperazin-2-one?
The InChIKey is HRHXCFHIYPRMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c13-11-6-8-9(2-1-3-10(8)17-11)15-5-4-14-12(16)7-15/h1-3,6H,4-5,7H2,(H,14,16).
What are the key properties of 4-(2-fluoro-1-benzothiophen-4-yl)piperazin-2-one?
4-(2-fluoro-1-benzothiophen-4-yl)piperazin-2-one has a molecular weight of 250.30 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-1-benzothiophen-4-yl)piperazin-2-one is sourced from PubChem (CID 150468595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).