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

C14H19BrN2O — CID 106995538

IUPAC4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide
SMILESCc1cc(C(=O)NC2CCNC(C)C2)ccc1Br
InChIInChI=1S/C14H19BrN2O/c1-9-7-11(3-4-13(9)15)14(18)17-12-5-6-16-10(2)8-12/h3-4,7,10,12,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyJGNGVONXXZVEPN-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.63
Rot. Bonds2

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

4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide (PubChem CID 106995538) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide
PubChem CID106995538
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide
SMILESCc1cc(C(=O)NC2CCNC(C)C2)ccc1Br
InChIInChI=1S/C14H19BrN2O/c1-9-7-11(3-4-13(9)15)14(18)17-12-5-6-16-10(2)8-12/h3-4,7,10,12,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyJGNGVONXXZVEPN-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)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

3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride
CID 120601410
4-bromo-N-cyclopentyl-3-methylbenzamide
CID 46738751
4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide
CID 103888174
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
CID 113396728
2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995466
3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120600380
4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 107990993
3-methyl-N-(2-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)benzamide
CID 120601161
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide (CID 106995538) is 4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide is Cc1cc(C(=O)NC2CCNC(C)C2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide?
The InChIKey is JGNGVONXXZVEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-9-7-11(3-4-13(9)15)14(18)17-12-5-6-16-10(2)8-12/h3-4,7,10,12,16H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of 4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide?
4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide has a molecular weight of 311.22 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 106995538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).