3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide

C15H21BrN2O — CID 79467099

IUPAC3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCN2CCCCC2)cc1Br
InChIInChI=1S/C15H21BrN2O/c1-12-5-6-13(11-14(12)16)15(19)17-7-10-18-8-3-2-4-9-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19)
InChIKeyXGJGRSKTIVDGNU-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.97
Rot. Bonds4

About 3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide

3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 79467099) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID79467099
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCN2CCCCC2)cc1Br
InChIInChI=1S/C15H21BrN2O/c1-12-5-6-13(11-14(12)16)15(19)17-7-10-18-8-3-2-4-9-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19)
InChIKeyXGJGRSKTIVDGNU-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 18367611
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516
4-hydrazinyl-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63212242
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788
N-[2-(azepan-1-yl)ethyl]-2-bromo-5-methylbenzamide
CID 80979640
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 103841452
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide
CID 104627715

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide (CID 79467099) is 3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide is Cc1ccc(C(=O)NCCN2CCCCC2)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is XGJGRSKTIVDGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-12-5-6-13(11-14(12)16)15(19)17-7-10-18-8-3-2-4-9-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19).
What are the key properties of 3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide?
3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 325.25 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 79467099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).