3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide

C15H21BrN2O — CID 113460717

IUPAC3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide
SMILESCCN1CCCC(NC(=O)c2cc(C)cc(Br)c2)C1
InChIInChI=1S/C15H21BrN2O/c1-3-18-6-4-5-14(10-18)17-15(19)12-7-11(2)8-13(16)9-12/h7-9,14H,3-6,10H2,1-2H3,(H,17,19)
InChIKeyINLMKSQEMSDRJX-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.97
Rot. Bonds3

About 3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide

3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide (PubChem CID 113460717) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide
PubChem CID113460717
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide
SMILESCCN1CCCC(NC(=O)c2cc(C)cc(Br)c2)C1
InChIInChI=1S/C15H21BrN2O/c1-3-18-6-4-5-14(10-18)17-15(19)12-7-11(2)8-13(16)9-12/h7-9,14H,3-6,10H2,1-2H3,(H,17,19)
InChIKeyINLMKSQEMSDRJX-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide 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

3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 104852532
N-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide
CID 63185168
3,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 103907480
N-(1-ethylpiperidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765277
5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide
CID 113240326
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 47344801
4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide
CID 61170021
3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide
CID 113460730
3-amino-4-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170156
3-bromo-N-(1,1-dioxothian-3-yl)-5-methylbenzamide
CID 104852729
N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 124752653
N-(1-ethylpiperidin-3-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62175971

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide (CID 113460717) is 3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide is CCN1CCCC(NC(=O)c2cc(C)cc(Br)c2)C1.
What is the InChIKey of 3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide?
The InChIKey is INLMKSQEMSDRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-3-18-6-4-5-14(10-18)17-15(19)12-7-11(2)8-13(16)9-12/h7-9,14H,3-6,10H2,1-2H3,(H,17,19).
What are the key properties of 3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide?
3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide has a molecular weight of 325.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide is sourced from PubChem (CID 113460717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).