N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide

C17H26N2O — CID 110857210

IUPACN-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
SMILESCc1ccc(NC(=O)CCC2CCN(C)CC2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-13-4-6-16(14(2)12-13)18-17(20)7-5-15-8-10-19(3)11-9-15/h4,6,12,15H,5,7-11H2,1-3H3,(H,18,20)
InChIKeyVSXVJWULYGFMTO-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.36
Rot. Bonds4

About N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide

N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide (PubChem CID 110857210) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
PubChem CID110857210
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
SMILESCc1ccc(NC(=O)CCC2CCN(C)CC2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-13-4-6-16(14(2)12-13)18-17(20)7-5-15-8-10-19(3)11-9-15/h4,6,12,15H,5,7-11H2,1-3H3,(H,18,20)
InChIKeyVSXVJWULYGFMTO-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-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-(2,4-dimethylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969538
N-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110857203
N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857468
3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 109032554
N-(2,4-dimethylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110857208
N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110858773
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide
CID 82757064
3-cyclopentyl-N-(2-hydroxy-4-methylphenyl)propanamide
CID 7979725
N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide
CID 28807910
N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110864681
N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide
CID 131913766

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide (CID 110857210) is N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide is Cc1ccc(NC(=O)CCC2CCN(C)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is VSXVJWULYGFMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-4-6-16(14(2)12-13)18-17(20)7-5-15-8-10-19(3)11-9-15/h4,6,12,15H,5,7-11H2,1-3H3,(H,18,20).
What are the key properties of N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide?
N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 274.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 110857210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).