5-bromo-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one

C13H17BrN2O3 — CID 43429902

IUPAC5-bromo-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CCCCC1CO
InChIInChI=1S/C13H17BrN2O3/c14-10-4-5-12(18)15(7-10)8-13(19)16-6-2-1-3-11(16)9-17/h4-5,7,11,17H,1-3,6,8-9H2
InChIKeyQQNWOFHXDBVJSP-UHFFFAOYSA-N
MW329.19 g/mol
LogP0.98
Rot. Bonds3

About 5-bromo-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one

5-bromo-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 43429902) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 5-bromo-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID43429902
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name5-bromo-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CCCCC1CO
InChIInChI=1S/C13H17BrN2O3/c14-10-4-5-12(18)15(7-10)8-13(19)16-6-2-1-3-11(16)9-17/h4-5,7,11,17H,1-3,6,8-9H2
InChIKeyQQNWOFHXDBVJSP-UHFFFAOYSA-N
XLogP0.98
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]piperidine-2-carboxylic acid
CID 43356091
5-Bromo-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 43427915
5-Bromo-1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 43427928
5-Bromo-1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 54878741
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxycyclohexyl)acetamide
CID 55064267
5-Amino-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 55118392
5-Bromo-1-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 60754136
5-Amino-1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 61406763
5-Bromo-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 61409261
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
CID 61581858
2-(5-bromo-2-oxo-1-pyridinyl)-N-cyclopentyl-N-(2-hydroxyethyl)acetamide
CID 61584849
5-Bromo-1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 62357949

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one (CID 43429902) is 5-bromo-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one is O=C(Cn1cc(Br)ccc1=O)N1CCCCC1CO.
What is the InChIKey of 5-bromo-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is QQNWOFHXDBVJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c14-10-4-5-12(18)15(7-10)8-13(19)16-6-2-1-3-11(16)9-17/h4-5,7,11,17H,1-3,6,8-9H2.
What are the key properties of 5-bromo-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 329.19 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 43429902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).