5-bromo-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one

C13H18BrN3O3 — CID 43427915

IUPAC5-bromo-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CCN(CCO)CC1
InChIInChI=1S/C13H18BrN3O3/c14-11-1-2-12(19)17(9-11)10-13(20)16-5-3-15(4-6-16)7-8-18/h1-2,9,18H,3-8,10H2
InChIKeyQOHORQFIOGISHY-UHFFFAOYSA-N
MW344.21 g/mol
LogP-0.25
Rot. Bonds4

About 5-bromo-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one

5-bromo-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 43427915) has the molecular formula C13H18BrN3O3 and a molecular weight of 344.21 g/mol. Its IUPAC name is 5-bromo-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID43427915
Molecular FormulaC13H18BrN3O3
Molecular Weight344.21 g/mol
Exact Mass343.05
IUPAC Name5-bromo-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CCN(CCO)CC1
InChIInChI=1S/C13H18BrN3O3/c14-11-1-2-12(19)17(9-11)10-13(20)16-5-3-15(4-6-16)7-8-18/h1-2,9,18H,3-8,10H2
InChIKeyQOHORQFIOGISHY-UHFFFAOYSA-N
XLogP-0.25
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103857275
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107482952
5-bromo-1-(2-hydroxyethyl)-3-morpholinopyridin-2(1H)-one
CID 90408554
1-(2-Hydroxy-2-morpholin-4-ylethyl)pyridin-2-one
CID 24741264
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide
CID 43427912
5-Bromo-1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 43427928
5-Bromo-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 43429902
2-[4-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetic acid
CID 43521370
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573569
2-(5-bromo-2-oxo-1-pyridinyl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
CID 43577160
5-Bromo-1-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one
CID 45814907
5-Bromo-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one
CID 47096731

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one (CID 43427915) is 5-bromo-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one is O=C(Cn1cc(Br)ccc1=O)N1CCN(CCO)CC1.
What is the InChIKey of 5-bromo-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is QOHORQFIOGISHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3/c14-11-1-2-12(19)17(9-11)10-13(20)16-5-3-15(4-6-16)7-8-18/h1-2,9,18H,3-8,10H2.
What are the key properties of 5-bromo-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 344.21 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 43427915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).