1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one

C14H19BrN2O — CID 107579697

IUPAC1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one
SMILESCNC1CCCN(c2cc(C)c(Br)c(C)c2)C1=O
InChIInChI=1S/C14H19BrN2O/c1-9-7-11(8-10(2)13(9)15)17-6-4-5-12(16-3)14(17)18/h7-8,12,16H,4-6H2,1-3H3
InChIKeyXAGIJIKJSATJKP-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.78
Rot. Bonds2

About 1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one

1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one (PubChem CID 107579697) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one
PubChem CID107579697
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one
SMILESCNC1CCCN(c2cc(C)c(Br)c(C)c2)C1=O
InChIInChI=1S/C14H19BrN2O/c1-9-7-11(8-10(2)13(9)15)17-6-4-5-12(16-3)14(17)18/h7-8,12,16H,4-6H2,1-3H3
InChIKeyXAGIJIKJSATJKP-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4,5-dimethylphenyl)-3-(methylamino)pyrrolidin-2-one
CID 54047309
1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one
CID 113445697
1-(3-bromo-5-methylphenyl)-3-(methylamino)pyrrolidin-2-one
CID 107579742
3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one
CID 107590126
3-(methylamino)-1-phenylazepan-2-one
CID 20589821
1-(2-bromo-4-iodophenyl)-3-(methylamino)piperidin-2-one
CID 114261349
1-[3-bromo-5-(trifluoromethyl)phenyl]-3-(methylamino)pyrrolidin-2-one
CID 65489048
1-(4-chloro-3-nitrophenyl)-3-(methylamino)piperidin-2-one
CID 107812165
3-(4-bromo-3,5-dimethylphenyl)-1,3-oxazinan-2-one
CID 107575225
1-(3-bromo-5-methoxyphenyl)-3-(propan-2-ylamino)piperidin-2-one
CID 82860337
1-[3-(dimethylamino)-4-methylphenyl]-3-(methylamino)pyrrolidin-2-one
CID 115378411
1-(3-bromo-5-methoxyphenyl)-3-(cyclopropylamino)piperidin-2-one
CID 82859484

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one (CID 107579697) is 1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one is CNC1CCCN(c2cc(C)c(Br)c(C)c2)C1=O.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one?
The InChIKey is XAGIJIKJSATJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-9-7-11(8-10(2)13(9)15)17-6-4-5-12(16-3)14(17)18/h7-8,12,16H,4-6H2,1-3H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one?
1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one has a molecular weight of 311.22 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one is sourced from PubChem (CID 107579697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).