[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate

C15H19BrN2O3 — CID 4131003

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate
SMILESCC1CCCC(C)N1C(=O)COC(=O)c1cncc(Br)c1
InChIInChI=1S/C15H19BrN2O3/c1-10-4-3-5-11(2)18(10)14(19)9-21-15(20)12-6-13(16)8-17-7-12/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyGPYDSFLBWRZOFS-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.79
Rot. Bonds3

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate (PubChem CID 4131003) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate
PubChem CID4131003
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate
SMILESCC1CCCC(C)N1C(=O)COC(=O)c1cncc(Br)c1
InChIInChI=1S/C15H19BrN2O3/c1-10-4-3-5-11(2)18(10)14(19)9-21-15(20)12-6-13(16)8-17-7-12/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyGPYDSFLBWRZOFS-UHFFFAOYSA-N
XLogP2.79
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 5-bromopyridine-3-carboxylate
CID 699336
Ethyl 5-bromopyridine-3-carboxylate
CID 140785
2-(4-Methylpiperidin-1-yl)-2-oxoethyl 5-bromopyridine-3-carboxylate
CID 2097394
[2-(Cyclohexylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2351060
[Cyclohexyl(methyl)carbamoyl]methyl 5-bromopyridine-3-carboxylate
CID 2386742
[2-[Di(propan-2-yl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2436130
[Cyclohexyl(methyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 3693761
[2-(Tert-butylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2411979
(2-Oxo-2-pyrrolidin-1-ylethyl) 5-bromopyridine-3-carboxylate
CID 2416732
2-((2-Chlorobenzyl)amino)-2-oxoethyl 5-bromonicotinate
CID 2433735
2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl 5-bromopyridine-3-carboxylate
CID 2453478
Ethyl 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylate
CID 2998450

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate (CID 4131003) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate is CC1CCCC(C)N1C(=O)COC(=O)c1cncc(Br)c1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
The InChIKey is GPYDSFLBWRZOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-10-4-3-5-11(2)18(10)14(19)9-21-15(20)12-6-13(16)8-17-7-12/h6-8,10-11H,3-5,9H2,1-2H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate has a molecular weight of 355.23 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate is sourced from PubChem (CID 4131003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).