1-[5-bromo-4-(4-methoxy-4-methylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]ethanone

C16H23BrN2O2 — CID 138497785

IUPAC1-[5-bromo-4-(4-methoxy-4-methylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]ethanone
SMILESCOC1(C)CCN(c2c(Br)c(C)nc(C)c2C(C)=O)CC1
InChIInChI=1S/C16H23BrN2O2/c1-10-13(12(3)20)15(14(17)11(2)18-10)19-8-6-16(4,21-5)7-9-19/h6-9H2,1-5H3
InChIKeyQADUDAOOQZIVEX-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.67
Rot. Bonds3

About 1-[5-bromo-4-(4-methoxy-4-methylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]ethanone

1-[5-bromo-4-(4-methoxy-4-methylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]ethanone (PubChem CID 138497785) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 1-[5-bromo-4-(4-methoxy-4-methylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-4-(4-methoxy-4-methylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]ethanone
PubChem CID138497785
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name1-[5-bromo-4-(4-methoxy-4-methylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]ethanone
SMILESCOC1(C)CCN(c2c(Br)c(C)nc(C)c2C(C)=O)CC1
InChIInChI=1S/C16H23BrN2O2/c1-10-13(12(3)20)15(14(17)11(2)18-10)19-8-6-16(4,21-5)7-9-19/h6-9H2,1-5H3
InChIKeyQADUDAOOQZIVEX-UHFFFAOYSA-N
XLogP3.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-bromo-4-(4-methoxy-4-methylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

propan-2-yl (2S)-2-[5-bromo-4-(4-methoxy-4-methylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 118307854
propan-2-yl (2S)-2-[4-(6-azaspiro[2.5]octan-6-yl)-5-bromo-2,6-dimethyl-3-pyridinyl]-2-hydroxyacetate
CID 126589855
2-[5-bromo-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol
CID 145227459
1-(4-methoxy-4-methylpiperidin-1-yl)ethanone
CID 70641350
propan-2-yl (2S)-2-[4-(7-azaspiro[3.5]nonan-7-yl)-5-bromo-2,6-dimethyl-3-pyridinyl]-2-hydroxyacetate
CID 126574253
6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155119085
propan-2-yl (2S)-2-[5-bromo-2,6-dimethyl-4-[4-methyl-4-(methyliminomethyl)piperidin-1-yl]-3-pyridinyl]-2-hydroxyacetate
CID 138497911
2-[5-bromo-4-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,6-dimethyl-3-pyridinyl]-2-hydroxyacetate
CID 154516689
propan-2-yl 2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromo-2,6-dimethyl-3-pyridinyl]-2-oxoacetate
CID 126574194
propan-2-yl 2-[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-5-bromo-2,6-dimethyl-3-pyridinyl]-2-oxoacetate
CID 126574292
tert-butyl N-[1-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methylpiperidin-4-yl]carbamate
CID 156805985
6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid
CID 122051945

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-4-(4-methoxy-4-methylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]ethanone?
The IUPAC name of 1-[5-bromo-4-(4-methoxy-4-methylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]ethanone (CID 138497785) is 1-[5-bromo-4-(4-methoxy-4-methylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-bromo-4-(4-methoxy-4-methylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]ethanone?
The canonical SMILES for 1-[5-bromo-4-(4-methoxy-4-methylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]ethanone is COC1(C)CCN(c2c(Br)c(C)nc(C)c2C(C)=O)CC1.
What is the InChIKey of 1-[5-bromo-4-(4-methoxy-4-methylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]ethanone?
The InChIKey is QADUDAOOQZIVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-10-13(12(3)20)15(14(17)11(2)18-10)19-8-6-16(4,21-5)7-9-19/h6-9H2,1-5H3.
What are the key properties of 1-[5-bromo-4-(4-methoxy-4-methylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]ethanone?
1-[5-bromo-4-(4-methoxy-4-methylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]ethanone has a molecular weight of 355.28 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-4-(4-methoxy-4-methylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]ethanone is sourced from PubChem (CID 138497785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).