5-bromo-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one

C13H17BrN2O3 — CID 103901117

IUPAC5-bromo-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1O
InChIInChI=1S/C13H17BrN2O3/c1-9-4-5-15(7-11(9)17)13(19)8-16-6-10(14)2-3-12(16)18/h2-3,6,9,11,17H,4-5,7-8H2,1H3
InChIKeyGKCBADRUUIQADR-UHFFFAOYSA-N
MW329.19 g/mol
LogP0.84
Rot. Bonds2

About 5-bromo-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one

5-bromo-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 103901117) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 5-bromo-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
PubChem CID103901117
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name5-bromo-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1O
InChIInChI=1S/C13H17BrN2O3/c1-9-4-5-15(7-11(9)17)13(19)8-16-6-10(14)2-3-12(16)18/h2-3,6,9,11,17H,4-5,7-8H2,1H3
InChIKeyGKCBADRUUIQADR-UHFFFAOYSA-N
XLogP0.84
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 96533352
5-Bromo-1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 43427913
5-Bromo-1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 43427928
5-Bromo-1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 43430823
5-Bromo-1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 54878741
5-Bromo-1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 62357949
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylacetamide
CID 65981305
2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylacetamide
CID 71924909
5-Bromo-1-[3-(3-hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 72016149
5-Bromo-1-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 80706988
5-bromo-1-[3-[(3R)-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 96533353
2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]-N-methylacetamide
CID 97087139

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one (CID 103901117) is 5-bromo-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one is CC1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1O.
What is the InChIKey of 5-bromo-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is GKCBADRUUIQADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-9-4-5-15(7-11(9)17)13(19)8-16-6-10(14)2-3-12(16)18/h2-3,6,9,11,17H,4-5,7-8H2,1H3.
What are the key properties of 5-bromo-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 329.19 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 103901117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).