5-[(3-bromo-2-pyridinyl)oxymethyl]-1-methylpiperidin-2-one

C12H15BrN2O2 — CID 126955061

IUPAC5-[(3-bromo-2-pyridinyl)oxymethyl]-1-methylpiperidin-2-one
SMILESCN1CC(COc2ncccc2Br)CCC1=O
InChIInChI=1S/C12H15BrN2O2/c1-15-7-9(4-5-11(15)16)8-17-12-10(13)3-2-6-14-12/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyKPEIRUGKEQNXEF-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.09
Rot. Bonds3

About 5-[(3-bromo-2-pyridinyl)oxymethyl]-1-methylpiperidin-2-one

5-[(3-bromo-2-pyridinyl)oxymethyl]-1-methylpiperidin-2-one (PubChem CID 126955061) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 5-[(3-bromo-2-pyridinyl)oxymethyl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(3-bromo-2-pyridinyl)oxymethyl]-1-methylpiperidin-2-one
PubChem CID126955061
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name5-[(3-bromo-2-pyridinyl)oxymethyl]-1-methylpiperidin-2-one
SMILESCN1CC(COc2ncccc2Br)CCC1=O
InChIInChI=1S/C12H15BrN2O2/c1-15-7-9(4-5-11(15)16)8-17-12-10(13)3-2-6-14-12/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyKPEIRUGKEQNXEF-UHFFFAOYSA-N
XLogP2.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one
CID 126955026
(5R)-5-ethyl-1-methylpiperidin-2-one
CID 170386664
1-methyl-4-[[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]methyl]pyrrolidin-2-one
CID 146077970
3-bromo-2-(2-cyclobutylethoxy)pyridine
CID 106203696
1-methyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yloxymethyl)piperidin-2-one
CID 126954576
2-(cyclopropylmethoxy)-3-propan-2-ylpyridine
CID 164786458
1-[(3-bromo-2-pyridinyl)methyl]-5-methylpyrrolidin-2-one
CID 130598530
1-[2-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 122250144
3-bromo-2-(2-piperidin-1-ylethoxy)pyridine
CID 55136336
1-methyl-5-[[1-(4-methylsulfonylphenyl)naphthalen-2-yl]oxymethyl]piperidin-2-one
CID 175644281
5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 64669595
N-methyl-3-[6-[(1-methyl-6-oxopiperidin-3-yl)methoxy]naphthalen-2-yl]benzamide
CID 175646242

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-2-pyridinyl)oxymethyl]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(3-bromo-2-pyridinyl)oxymethyl]-1-methylpiperidin-2-one (CID 126955061) is 5-[(3-bromo-2-pyridinyl)oxymethyl]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(3-bromo-2-pyridinyl)oxymethyl]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(3-bromo-2-pyridinyl)oxymethyl]-1-methylpiperidin-2-one is CN1CC(COc2ncccc2Br)CCC1=O.
What is the InChIKey of 5-[(3-bromo-2-pyridinyl)oxymethyl]-1-methylpiperidin-2-one?
The InChIKey is KPEIRUGKEQNXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-15-7-9(4-5-11(15)16)8-17-12-10(13)3-2-6-14-12/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 5-[(3-bromo-2-pyridinyl)oxymethyl]-1-methylpiperidin-2-one?
5-[(3-bromo-2-pyridinyl)oxymethyl]-1-methylpiperidin-2-one has a molecular weight of 299.17 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-2-pyridinyl)oxymethyl]-1-methylpiperidin-2-one is sourced from PubChem (CID 126955061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).