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

C16H23BrN2O — CID 46631156

IUPACN-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCC(C)CC2)c(Br)c1
InChIInChI=1S/C16H23BrN2O/c1-11-6-8-19(9-7-11)13(3)16(20)18-15-5-4-12(2)10-14(15)17/h4-5,10-11,13H,6-9H2,1-3H3,(H,18,20)
InChIKeyJHVOCBPXCPSQNR-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.82
Rot. Bonds3

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

N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide (PubChem CID 46631156) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
PubChem CID46631156
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCC(C)CC2)c(Br)c1
InChIInChI=1S/C16H23BrN2O/c1-11-6-8-19(9-7-11)13(3)16(20)18-15-5-4-12(2)10-14(15)17/h4-5,10-11,13H,6-9H2,1-3H3,(H,18,20)
InChIKeyJHVOCBPXCPSQNR-UHFFFAOYSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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)-2-(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-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 42927390
(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444011
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide
CID 55498452
N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 16779551
(2S)-N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 9444070
(2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41414954
(2S)-N-(2-bromo-4-methylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30739088
N-(2-bromo-4-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
CID 60500734
2-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 18078449
N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014604
N-(2-bromo-4-methylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 51313786
N-(2-bromo-4-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide
CID 55432438

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide (CID 46631156) is N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide is Cc1ccc(NC(=O)C(C)N2CCC(C)CC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is JHVOCBPXCPSQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-11-6-8-19(9-7-11)13(3)16(20)18-15-5-4-12(2)10-14(15)17/h4-5,10-11,13H,6-9H2,1-3H3,(H,18,20).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide?
N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 339.28 g/mol, XLogP of 3.82, 3 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)-2-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 46631156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).