4-(1-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one

C10H14N2O2S — CID 23315287

IUPAC4-(1-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one
SMILESCC(O)N1CCNC(=O)C1c1cccs1
InChIInChI=1S/C10H14N2O2S/c1-7(13)12-5-4-11-10(14)9(12)8-3-2-6-15-8/h2-3,6-7,9,13H,4-5H2,1H3,(H,11,14)
InChIKeyDSWFKWHOMSZKLO-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.56
Rot. Bonds2

About 4-(1-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one

4-(1-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one (PubChem CID 23315287) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one
PubChem CID23315287
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4-(1-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one
SMILESCC(O)N1CCNC(=O)C1c1cccs1
InChIInChI=1S/C10H14N2O2S/c1-7(13)12-5-4-11-10(14)9(12)8-3-2-6-15-8/h2-3,6-7,9,13H,4-5H2,1H3,(H,11,14)
InChIKeyDSWFKWHOMSZKLO-UHFFFAOYSA-N
XLogP0.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one?
The IUPAC name of 4-(1-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one (CID 23315287) is 4-(1-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(1-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one?
The canonical SMILES for 4-(1-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one is CC(O)N1CCNC(=O)C1c1cccs1.
What is the InChIKey of 4-(1-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one?
The InChIKey is DSWFKWHOMSZKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7(13)12-5-4-11-10(14)9(12)8-3-2-6-15-8/h2-3,6-7,9,13H,4-5H2,1H3,(H,11,14).
What are the key properties of 4-(1-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one?
4-(1-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one has a molecular weight of 226.30 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one is sourced from PubChem (CID 23315287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).