2-bromo-5-methyl-N-piperidin-4-ylbenzamide

C13H17BrN2O — CID 81111210

IUPAC2-bromo-5-methyl-N-piperidin-4-ylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC2CCNCC2)c1
InChIInChI=1S/C13H17BrN2O/c1-9-2-3-12(14)11(8-9)13(17)16-10-4-6-15-7-5-10/h2-3,8,10,15H,4-7H2,1H3,(H,16,17)
InChIKeyPBNVPLGDYTVVDG-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.24
Rot. Bonds2

About 2-bromo-5-methyl-N-piperidin-4-ylbenzamide

2-bromo-5-methyl-N-piperidin-4-ylbenzamide (PubChem CID 81111210) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-piperidin-4-ylbenzamide
PubChem CID81111210
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-bromo-5-methyl-N-piperidin-4-ylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC2CCNCC2)c1
InChIInChI=1S/C13H17BrN2O/c1-9-2-3-12(14)11(8-9)13(17)16-10-4-6-15-7-5-10/h2-3,8,10,15H,4-7H2,1H3,(H,16,17)
InChIKeyPBNVPLGDYTVVDG-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686
2-bromo-5-methyl-N-(1-oxothian-4-yl)benzamide
CID 104580819
N-(azepan-4-yl)-2,4-dimethylbenzamide
CID 105058394
N-(azepan-4-yl)-2-methoxy-5-methylbenzamide
CID 105058771
2-bromo-N-(1-ethylpiperidin-4-yl)-5-methylbenzamide
CID 80963448
2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide
CID 104693584
2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79687966
2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide
CID 81001993
2-(2,5-dimethylphenyl)-N-piperidin-4-ylacetamide
CID 62537679
2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451435
2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995466

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-piperidin-4-ylbenzamide?
The IUPAC name of 2-bromo-5-methyl-N-piperidin-4-ylbenzamide (CID 81111210) is 2-bromo-5-methyl-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-piperidin-4-ylbenzamide?
The canonical SMILES for 2-bromo-5-methyl-N-piperidin-4-ylbenzamide is Cc1ccc(Br)c(C(=O)NC2CCNCC2)c1.
What is the InChIKey of 2-bromo-5-methyl-N-piperidin-4-ylbenzamide?
The InChIKey is PBNVPLGDYTVVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-2-3-12(14)11(8-9)13(17)16-10-4-6-15-7-5-10/h2-3,8,10,15H,4-7H2,1H3,(H,16,17).
What are the key properties of 2-bromo-5-methyl-N-piperidin-4-ylbenzamide?
2-bromo-5-methyl-N-piperidin-4-ylbenzamide has a molecular weight of 297.20 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 81111210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).