3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide

C15H21BrN2O — CID 113247797

IUPAC3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(C)CC2C)cc1Br
InChIInChI=1S/C15H21BrN2O/c1-10-4-5-12(8-13(10)16)15(19)17-14-6-7-18(3)9-11(14)2/h4-5,8,11,14H,6-7,9H2,1-3H3,(H,17,19)
InChIKeyVJIIAFGQAKKWDC-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.83
Rot. Bonds2

About 3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide

3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide (PubChem CID 113247797) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
PubChem CID113247797
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(C)CC2C)cc1Br
InChIInChI=1S/C15H21BrN2O/c1-10-4-5-12(8-13(10)16)15(19)17-14-6-7-18(3)9-11(14)2/h4-5,8,11,14H,6-7,9H2,1-3H3,(H,17,19)
InChIKeyVJIIAFGQAKKWDC-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide
CID 107036333
2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
CID 115765983
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-bromo-4-methylbenzamide
CID 81472016
N-(1,3-dimethylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 114504320
5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide
CID 102706008
3-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide
CID 79464819
4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 54252935
N-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide
CID 114505976
N-(1,3-dimethylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 18723319
3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356
3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide
CID 113395139
3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide
CID 107873193

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide?
The IUPAC name of 3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide (CID 113247797) is 3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide is Cc1ccc(C(=O)NC2CCN(C)CC2C)cc1Br.
What is the InChIKey of 3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide?
The InChIKey is VJIIAFGQAKKWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10-4-5-12(8-13(10)16)15(19)17-14-6-7-18(3)9-11(14)2/h4-5,8,11,14H,6-7,9H2,1-3H3,(H,17,19).
What are the key properties of 3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide?
3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide has a molecular weight of 325.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide is sourced from PubChem (CID 113247797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).