N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide

C17H26N2O — CID 132649676

IUPACN-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCN(C)CC2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12-5-6-16(13(2)11-12)14(3)18-17(20)15-7-9-19(4)10-8-15/h5-6,11,14-15H,7-10H2,1-4H3,(H,18,20)
InChIKeyPTLNEMDKBMHLGJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.82
Rot. Bonds3

About N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide

N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide (PubChem CID 132649676) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide
PubChem CID132649676
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCN(C)CC2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12-5-6-16(13(2)11-12)14(3)18-17(20)15-7-9-19(4)10-8-15/h5-6,11,14-15H,7-10H2,1-4H3,(H,18,20)
InChIKeyPTLNEMDKBMHLGJ-UHFFFAOYSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide 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

(3R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-3-carboxamide
CID 95396939
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide
CID 99970775
1-[(4-chlorophenyl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 46776367
N-[1-(2,4-dimethylphenyl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46776363
N-[1-(2,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 133167121
1-[(3-chlorophenyl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 46776366
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 28565359
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 28631738
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 94024563
1-[(4-bromophenyl)methylsulfonyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 92674415
cis-(1R,2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 11922138
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 43916436

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide (CID 132649676) is N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide is Cc1ccc(C(C)NC(=O)C2CCN(C)CC2)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is PTLNEMDKBMHLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-5-6-16(13(2)11-12)14(3)18-17(20)15-7-9-19(4)10-8-15/h5-6,11,14-15H,7-10H2,1-4H3,(H,18,20).
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide?
N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 132649676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).