3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride

C14H20BrClN2O — CID 120575414

IUPAC3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CCCNC2C)cc1Br.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-9-5-6-11(8-12(9)15)14(18)17-13-4-3-7-16-10(13)2;/h5-6,8,10,13,16H,3-4,7H2,1-2H3,(H,17,18);1H
InChIKeyRVVWKNPHNXQHGV-UHFFFAOYSA-N
MW347.68 g/mol
LogP3.05
Rot. Bonds2

About 3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride

3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride (PubChem CID 120575414) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
PubChem CID120575414
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC Name3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CCCNC2C)cc1Br.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-9-5-6-11(8-12(9)15)14(18)17-13-4-3-7-16-10(13)2;/h5-6,8,10,13,16H,3-4,7H2,1-2H3,(H,17,18);1H
InChIKeyRVVWKNPHNXQHGV-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride 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-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide
CID 114694855
4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114695015
3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574596
3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
CID 124515685
3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide
CID 113395139
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356
4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573672
3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 103209748
2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride
CID 120574172
2-bromo-4-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 106813439
3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 81472649

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The IUPAC name of 3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride (CID 120575414) is 3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride.
What is the SMILES notation for 3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The canonical SMILES for 3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride is Cc1ccc(C(=O)NC2CCCNC2C)cc1Br.Cl.
What is the InChIKey of 3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The InChIKey is RVVWKNPHNXQHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O.ClH/c1-9-5-6-11(8-12(9)15)14(18)17-13-4-3-7-16-10(13)2;/h5-6,8,10,13,16H,3-4,7H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride has a molecular weight of 347.68 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 120575414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).