1-thiophen-3-ylpiperazin-2-one

C8H10N2OS — CID 67084859

IUPAC1-thiophen-3-ylpiperazin-2-one
SMILESO=C1CNCCN1c1ccsc1
InChIInChI=1S/C8H10N2OS/c11-8-5-9-2-3-10(8)7-1-4-12-6-7/h1,4,6,9H,2-3,5H2
InChIKeyZRIYSXJTQKYHOR-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.68
Rot. Bonds1

About 1-thiophen-3-ylpiperazin-2-one

1-thiophen-3-ylpiperazin-2-one (PubChem CID 67084859) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 1-thiophen-3-ylpiperazin-2-one.

Molecular Properties

Compound Name1-thiophen-3-ylpiperazin-2-one
PubChem CID67084859
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name1-thiophen-3-ylpiperazin-2-one
SMILESO=C1CNCCN1c1ccsc1
InChIInChI=1S/C8H10N2OS/c11-8-5-9-2-3-10(8)7-1-4-12-6-7/h1,4,6,9H,2-3,5H2
InChIKeyZRIYSXJTQKYHOR-UHFFFAOYSA-N
XLogP0.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylpiperazin-2-one?
The IUPAC name of 1-thiophen-3-ylpiperazin-2-one (CID 67084859) is 1-thiophen-3-ylpiperazin-2-one.
What is the SMILES notation for 1-thiophen-3-ylpiperazin-2-one?
The canonical SMILES for 1-thiophen-3-ylpiperazin-2-one is O=C1CNCCN1c1ccsc1.
What is the InChIKey of 1-thiophen-3-ylpiperazin-2-one?
The InChIKey is ZRIYSXJTQKYHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c11-8-5-9-2-3-10(8)7-1-4-12-6-7/h1,4,6,9H,2-3,5H2.
What are the key properties of 1-thiophen-3-ylpiperazin-2-one?
1-thiophen-3-ylpiperazin-2-one has a molecular weight of 182.25 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylpiperazin-2-one is sourced from PubChem (CID 67084859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).