N-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide

C25H28F3N3O3 — CID 46404082

IUPACN-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCCN(C(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C25H28F3N3O3/c1-3-30(16-22(32)29-21-9-5-4-8-20(21)25(26,27)28)24(34)19-7-6-14-31(15-19)23(33)18-12-10-17(2)11-13-18/h4-5,8-13,19H,3,6-7,14-16H2,1-2H3,(H,29,32)
InChIKeyDYWSPLWEXCWBQB-UHFFFAOYSA-N
MW475.51 g/mol
LogP4.35
Rot. Bonds6

About N-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide

N-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide (PubChem CID 46404082) has the molecular formula C25H28F3N3O3 and a molecular weight of 475.51 g/mol. Its IUPAC name is N-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide
PubChem CID46404082
Molecular FormulaC25H28F3N3O3
Molecular Weight475.51 g/mol
Exact Mass475.21
IUPAC NameN-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCCN(C(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C25H28F3N3O3/c1-3-30(16-22(32)29-21-9-5-4-8-20(21)25(26,27)28)24(34)19-7-6-14-31(15-19)23(33)18-12-10-17(2)11-13-18/h4-5,8-13,19H,3,6-7,14-16H2,1-2H3,(H,29,32)
InChIKeyDYWSPLWEXCWBQB-UHFFFAOYSA-N
XLogP4.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide
CID 9095217
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46409146
(3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-ethyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide
CID 124741327
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974404
(2S,4S)-N-ethyl-2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide
CID 120617399
N-ethyl-1-(furan-2-carbonyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-2-carboxamide
CID 55965355
2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119218307
N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 55623634
(3R)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784172
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide
CID 8503372
(3R)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9095245
N,4-diethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 9095226

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide (CID 46404082) is N-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCCN(C(=O)c2ccc(C)cc2)C1.
What is the InChIKey of N-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide?
The InChIKey is DYWSPLWEXCWBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O3/c1-3-30(16-22(32)29-21-9-5-4-8-20(21)25(26,27)28)24(34)19-7-6-14-31(15-19)23(33)18-12-10-17(2)11-13-18/h4-5,8-13,19H,3,6-7,14-16H2,1-2H3,(H,29,32).
What are the key properties of N-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide?
N-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide has a molecular weight of 475.51 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 46404082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).