1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C23H26F3N3O2 — CID 16812702

IUPAC1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)CN2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c(C)c1
InChIInChI=1S/C23H26F3N3O2/c1-15-6-7-20(16(2)12-15)28-21(30)14-29-10-8-17(9-11-29)22(31)27-19-5-3-4-18(13-19)23(24,25)26/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyYKHFCUZURFMQTP-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.61
Rot. Bonds5

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

1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 16812702) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID16812702
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC Name1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)CN2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c(C)c1
InChIInChI=1S/C23H26F3N3O2/c1-15-6-7-20(16(2)12-15)28-21(30)14-29-10-8-17(9-11-29)22(31)27-19-5-3-4-18(13-19)23(24,25)26/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyYKHFCUZURFMQTP-UHFFFAOYSA-N
XLogP4.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 16910314
N-(4-carbamoylphenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910253
N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910194
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 16909852
N-(1,3-benzodioxol-5-yl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8995661
N-[(2,6-difluorophenyl)methyl]-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16812707
2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 16910167
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 16910200
butyl 4-[[1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carbonyl]amino]benzoate
CID 16910206
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500965
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 16812702) is 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is Cc1ccc(NC(=O)CN2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is YKHFCUZURFMQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-15-6-7-20(16(2)12-15)28-21(30)14-29-10-8-17(9-11-29)22(31)27-19-5-3-4-18(13-19)23(24,25)26/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 16812702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).