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

C10H14N2O2S — CID 3070021

IUPAC4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one
SMILESO=C1NCCN(CCO)C1c1cccs1
InChIInChI=1S/C10H14N2O2S/c13-6-5-12-4-3-11-10(14)9(12)8-2-1-7-15-8/h1-2,7,9,13H,3-6H2,(H,11,14)
InChIKeyAKCSDYAJUUUAAU-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.21
Rot. Bonds3

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

4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one (PubChem CID 3070021) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one
PubChem CID3070021
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one
SMILESO=C1NCCN(CCO)C1c1cccs1
InChIInChI=1S/C10H14N2O2S/c13-6-5-12-4-3-11-10(14)9(12)8-2-1-7-15-8/h1-2,7,9,13H,3-6H2,(H,11,14)
InChIKeyAKCSDYAJUUUAAU-UHFFFAOYSA-N
XLogP0.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]ethyl 2-(4-chlorophenoxy)acetate
CID 92968939
3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
CID 3070020
4-[(5-chlorothiadiazol-4-yl)methyl]-3-thiophen-2-ylpiperazin-2-one
CID 71986542
4-(1-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one
CID 23315287
4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 120848995
N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide
CID 95903262
4-[4-(aminomethyl)benzoyl]-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119333806
4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one
CID 119801487
N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide
CID 95903256
7-[(3-oxo-2-thiophen-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 71986544
7-[[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 95903208
4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpiperazin-2-one
CID 154784618

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one?
The IUPAC name of 4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one (CID 3070021) is 4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one?
The canonical SMILES for 4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one is O=C1NCCN(CCO)C1c1cccs1.
What is the InChIKey of 4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one?
The InChIKey is AKCSDYAJUUUAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c13-6-5-12-4-3-11-10(14)9(12)8-2-1-7-15-8/h1-2,7,9,13H,3-6H2,(H,11,14).
What are the key properties of 4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one?
4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one has a molecular weight of 226.30 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one is sourced from PubChem (CID 3070021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).