1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one

C13H16BrClN2O — CID 113445697

IUPAC1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one
SMILESCNC1CCCN(c2cc(Cl)c(C)cc2Br)C1=O
InChIInChI=1S/C13H16BrClN2O/c1-8-6-9(14)12(7-10(8)15)17-5-3-4-11(16-2)13(17)18/h6-7,11,16H,3-5H2,1-2H3
InChIKeyNEXRVNYMIQFOGQ-UHFFFAOYSA-N
MW331.64 g/mol
LogP3.13
Rot. Bonds2

About 1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one

1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one (PubChem CID 113445697) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is 1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one
PubChem CID113445697
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC Name1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one
SMILESCNC1CCCN(c2cc(Cl)c(C)cc2Br)C1=O
InChIInChI=1S/C13H16BrClN2O/c1-8-6-9(14)12(7-10(8)15)17-5-3-4-11(16-2)13(17)18/h6-7,11,16H,3-5H2,1-2H3
InChIKeyNEXRVNYMIQFOGQ-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)piperidin-2-one
CID 104725316
1-(2,5-dichloro-4-methylphenyl)-3-(methylamino)pyrrolidin-2-one
CID 104727309
1-(2-bromo-4-iodophenyl)-3-(methylamino)piperidin-2-one
CID 114261349
1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one
CID 107579697
3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one
CID 104725658
1-(2-bromo-5-chloro-4-methylphenyl)-3-methylpiperazine-2,5-dione
CID 104725428
1-(2-bromo-5-chloro-4-methylphenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 104725412
1-(5-chloroquinolin-8-yl)-3-(methylamino)piperidin-2-one
CID 116785595
1-(3-bromo-4,5-dimethylphenyl)-3-(methylamino)pyrrolidin-2-one
CID 54047309
1-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)piperidin-2-one
CID 103416948
1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one
CID 107594221
1-(4-chloro-3-nitrophenyl)-3-(methylamino)piperidin-2-one
CID 107812165

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one?
The IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one (CID 113445697) is 1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one.
What is the SMILES notation for 1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one?
The canonical SMILES for 1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one is CNC1CCCN(c2cc(Cl)c(C)cc2Br)C1=O.
What is the InChIKey of 1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one?
The InChIKey is NEXRVNYMIQFOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c1-8-6-9(14)12(7-10(8)15)17-5-3-4-11(16-2)13(17)18/h6-7,11,16H,3-5H2,1-2H3.
What are the key properties of 1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one?
1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one has a molecular weight of 331.64 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one is sourced from PubChem (CID 113445697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).