3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide

C13H16Br2N2O — CID 114022754

IUPAC3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
SMILESCN(C(=O)c1cc(Br)cc(Br)c1)C1CCNCC1
InChIInChI=1S/C13H16Br2N2O/c1-17(12-2-4-16-5-3-12)13(18)9-6-10(14)8-11(15)7-9/h6-8,12,16H,2-5H2,1H3
InChIKeyNSKXVGLRSDHMGE-UHFFFAOYSA-N
MW376.09 g/mol
LogP3.04
Rot. Bonds2

About 3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide

3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide (PubChem CID 114022754) has the molecular formula C13H16Br2N2O and a molecular weight of 376.09 g/mol. Its IUPAC name is 3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
PubChem CID114022754
Molecular FormulaC13H16Br2N2O
Molecular Weight376.09 g/mol
Exact Mass373.96
IUPAC Name3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
SMILESCN(C(=O)c1cc(Br)cc(Br)c1)C1CCNCC1
InChIInChI=1S/C13H16Br2N2O/c1-17(12-2-4-16-5-3-12)13(18)9-6-10(14)8-11(15)7-9/h6-8,12,16H,2-5H2,1H3
InChIKeyNSKXVGLRSDHMGE-UHFFFAOYSA-N
XLogP3.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.09
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3,5-trimethyl-N-piperidin-4-ylbenzamide
CID 43602069
3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 113349444
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446
N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide
CID 119442576
3-bromo-N-cyclopentyl-N,5-dimethylbenzamide
CID 104851892
3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442005
3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119441173
3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 107939103
3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
CID 65374087
3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 63298248
N,3,5-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551819
N,3,4-trimethyl-N-piperidin-4-yl-5-sulfamoylbenzamide
CID 119443970

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide?
The IUPAC name of 3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide (CID 114022754) is 3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide?
The canonical SMILES for 3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide is CN(C(=O)c1cc(Br)cc(Br)c1)C1CCNCC1.
What is the InChIKey of 3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide?
The InChIKey is NSKXVGLRSDHMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N2O/c1-17(12-2-4-16-5-3-12)13(18)9-6-10(14)8-11(15)7-9/h6-8,12,16H,2-5H2,1H3.
What are the key properties of 3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide?
3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide has a molecular weight of 376.09 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 114022754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).