3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one

C12H15BrN2O2 — CID 114760810

IUPAC3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one
SMILESO=C(Cn1cccc(Br)c1=O)N1CCCCC1
InChIInChI=1S/C12H15BrN2O2/c13-10-5-4-8-15(12(10)17)9-11(16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2
InChIKeyMTTDVYUGBUANMT-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.62
Rot. Bonds2

About 3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one

3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one (PubChem CID 114760810) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one
PubChem CID114760810
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one
SMILESO=C(Cn1cccc(Br)c1=O)N1CCCCC1
InChIInChI=1S/C12H15BrN2O2/c13-10-5-4-8-15(12(10)17)9-11(16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2
InChIKeyMTTDVYUGBUANMT-UHFFFAOYSA-N
XLogP1.62
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[2-(azepan-1-yl)-2-oxoethyl]pyrrole-2-carboxylate
CID 102604458
2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid
CID 82902984
2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone
CID 66403516
1-[2-(azepan-1-yl)-2-oxoethyl]-3-chloropyrazin-2-one
CID 114561652
1-(azepan-1-yl)-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]ethanone
CID 66403739
2-(3-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide
CID 114761115
2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-1-piperidin-1-ylethanone
CID 66402034
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55437296
7-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione
CID 60711537
1-(azepan-1-yl)-2-(6-bromoindol-1-yl)ethanone
CID 116622080
5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66309620
1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 53161876

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one?
The IUPAC name of 3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one (CID 114760810) is 3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one is O=C(Cn1cccc(Br)c1=O)N1CCCCC1.
What is the InChIKey of 3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one?
The InChIKey is MTTDVYUGBUANMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-10-5-4-8-15(12(10)17)9-11(16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one?
3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one has a molecular weight of 299.17 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one is sourced from PubChem (CID 114760810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).