N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide

C16H23BrN2O — CID 109014604

IUPACN-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCN2CCC(C)CC2)c(Br)c1
InChIInChI=1S/C16H23BrN2O/c1-12-5-8-19(9-6-12)10-7-16(20)18-15-4-3-13(2)11-14(15)17/h3-4,11-12H,5-10H2,1-2H3,(H,18,20)
InChIKeyLOFYQWNPZBMLOS-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.82
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide

N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide (PubChem CID 109014604) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
PubChem CID109014604
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCN2CCC(C)CC2)c(Br)c1
InChIInChI=1S/C16H23BrN2O/c1-12-5-8-19(9-6-12)10-7-16(20)18-15-4-3-13(2)11-14(15)17/h3-4,11-12H,5-10H2,1-2H3,(H,18,20)
InChIKeyLOFYQWNPZBMLOS-UHFFFAOYSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide 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

N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154390
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 773010
N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014572
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride
CID 23724258
N-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923517
3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 109014565
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)acetamide
CID 63595023
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 79868182
N-(4-amino-2-methylphenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63623312
N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46631156
N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778789

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide (CID 109014604) is N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide is Cc1ccc(NC(=O)CCN2CCC(C)CC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is LOFYQWNPZBMLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-12-5-8-19(9-6-12)10-7-16(20)18-15-4-3-13(2)11-14(15)17/h3-4,11-12H,5-10H2,1-2H3,(H,18,20).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 339.28 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 109014604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).