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

C13H17BrN2O2 — CID 78767947

IUPAC5-bromo-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1CCCN(C(=O)Cn2cc(Br)ccc2=O)C1
InChIInChI=1S/C13H17BrN2O2/c1-10-3-2-6-15(7-10)13(18)9-16-8-11(14)4-5-12(16)17/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyOXBGOEJYVBVKPA-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.87
Rot. Bonds2

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

5-bromo-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 78767947) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 5-bromo-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
PubChem CID78767947
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name5-bromo-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1CCCN(C(=O)Cn2cc(Br)ccc2=O)C1
InChIInChI=1S/C13H17BrN2O2/c1-10-3-2-6-15(7-10)13(18)9-16-8-11(14)4-5-12(16)17/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyOXBGOEJYVBVKPA-UHFFFAOYSA-N
XLogP1.87
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one (CID 78767947) is 5-bromo-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one is CC1CCCN(C(=O)Cn2cc(Br)ccc2=O)C1.
What is the InChIKey of 5-bromo-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is OXBGOEJYVBVKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-10-3-2-6-15(7-10)13(18)9-16-8-11(14)4-5-12(16)17/h4-5,8,10H,2-3,6-7,9H2,1H3.
What are the key properties of 5-bromo-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 313.19 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 78767947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).