3-bromo-1-(5-methyl-3-pyridinyl)piperidin-2-one

C11H13BrN2O — CID 107586843

IUPAC3-bromo-1-(5-methyl-3-pyridinyl)piperidin-2-one
SMILESCc1cncc(N2CCCC(Br)C2=O)c1
InChIInChI=1S/C11H13BrN2O/c1-8-5-9(7-13-6-8)14-4-2-3-10(12)11(14)15/h5-7,10H,2-4H2,1H3
InChIKeyNDQSZRZJQSXYLF-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.28
Rot. Bonds1

About 3-bromo-1-(5-methyl-3-pyridinyl)piperidin-2-one

3-bromo-1-(5-methyl-3-pyridinyl)piperidin-2-one (PubChem CID 107586843) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 3-bromo-1-(5-methyl-3-pyridinyl)piperidin-2-one.

Molecular Properties

Compound Name3-bromo-1-(5-methyl-3-pyridinyl)piperidin-2-one
PubChem CID107586843
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name3-bromo-1-(5-methyl-3-pyridinyl)piperidin-2-one
SMILESCc1cncc(N2CCCC(Br)C2=O)c1
InChIInChI=1S/C11H13BrN2O/c1-8-5-9(7-13-6-8)14-4-2-3-10(12)11(14)15/h5-7,10H,2-4H2,1H3
InChIKeyNDQSZRZJQSXYLF-UHFFFAOYSA-N
XLogP2.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-3-pyridinyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 107587003
1-(5-bromo-3-pyridinyl)-3-(propylamino)piperidin-2-one
CID 114223180
3-(2-methylpropyl)-1-(5-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione
CID 107587031
3-methyl-5-pyrrolidin-1-ylpyridine
CID 89217825
1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione
CID 107587022
N-methyl-1-(5-methyl-3-pyridinyl)piperidin-3-amine
CID 107586864
1-(5-methyl-3-pyridinyl)piperidin-2-imine
CID 107585793
1-(5-fluoro-3-pyridinyl)-3-(propan-2-ylamino)piperidin-2-one
CID 114253939
(3S)-3-bromo-1-[4-(difluoromethoxy)phenyl]piperidin-2-one
CID 95362468
3-methyl-1-(3-methylphenyl)piperidin-2-one
CID 21249686
3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one
CID 107590126
N-methyl-1-(5-methyl-3-pyridinyl)piperidin-4-amine
CID 107585701

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(5-methyl-3-pyridinyl)piperidin-2-one?
The IUPAC name of 3-bromo-1-(5-methyl-3-pyridinyl)piperidin-2-one (CID 107586843) is 3-bromo-1-(5-methyl-3-pyridinyl)piperidin-2-one.
What is the SMILES notation for 3-bromo-1-(5-methyl-3-pyridinyl)piperidin-2-one?
The canonical SMILES for 3-bromo-1-(5-methyl-3-pyridinyl)piperidin-2-one is Cc1cncc(N2CCCC(Br)C2=O)c1.
What is the InChIKey of 3-bromo-1-(5-methyl-3-pyridinyl)piperidin-2-one?
The InChIKey is NDQSZRZJQSXYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-8-5-9(7-13-6-8)14-4-2-3-10(12)11(14)15/h5-7,10H,2-4H2,1H3.
What are the key properties of 3-bromo-1-(5-methyl-3-pyridinyl)piperidin-2-one?
3-bromo-1-(5-methyl-3-pyridinyl)piperidin-2-one has a molecular weight of 269.14 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(5-methyl-3-pyridinyl)piperidin-2-one is sourced from PubChem (CID 107586843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).