1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide

C25H33N3O2 — CID 16909868

IUPAC1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCN(CC(=O)Nc3ccc(C)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C25H33N3O2/c1-16-12-19(4)24(20(5)13-16)27-25(30)21-8-10-28(11-9-21)15-23(29)26-22-7-6-17(2)18(3)14-22/h6-7,12-14,21H,8-11,15H2,1-5H3,(H,26,29)(H,27,30)
InChIKeyNEOYVLJKVOJTLM-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.52
Rot. Bonds5

About 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide

1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide (PubChem CID 16909868) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
PubChem CID16909868
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCN(CC(=O)Nc3ccc(C)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C25H33N3O2/c1-16-12-19(4)24(20(5)13-16)27-25(30)21-8-10-28(11-9-21)15-23(29)26-22-7-6-17(2)18(3)14-22/h6-7,12-14,21H,8-11,15H2,1-5H3,(H,26,29)(H,27,30)
InChIKeyNEOYVLJKVOJTLM-UHFFFAOYSA-N
XLogP4.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-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

1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 16909852
N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909883
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 16909824
N-(3-chloro-4-methylphenyl)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909395
N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909784
N-(5-bromo-2-pyridinyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55816440
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
CID 16909841
N-(3-fluoro-4-methylphenyl)-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909742
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909878
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 16909809
N-(3-chloro-4-methylphenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909629

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide (CID 16909868) is 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide is Cc1cc(C)c(NC(=O)C2CCN(CC(=O)Nc3ccc(C)c(C)c3)CC2)c(C)c1.
What is the InChIKey of 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
The InChIKey is NEOYVLJKVOJTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-16-12-19(4)24(20(5)13-16)27-25(30)21-8-10-28(11-9-21)15-23(29)26-22-7-6-17(2)18(3)14-22/h6-7,12-14,21H,8-11,15H2,1-5H3,(H,26,29)(H,27,30).
What are the key properties of 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 16909868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).