N-ethyl-1-(furan-2-carbonyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-2-carboxamide

C22H24F3N3O4 — CID 55965355

IUPACN-ethyl-1-(furan-2-carbonyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-2-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C22H24F3N3O4/c1-2-27(14-19(29)26-16-9-4-3-8-15(16)22(23,24)25)20(30)17-10-5-6-12-28(17)21(31)18-11-7-13-32-18/h3-4,7-9,11,13,17H,2,5-6,10,12,14H2,1H3,(H,26,29)
InChIKeyVBZSIUZYZQJZAI-UHFFFAOYSA-N
MW451.45 g/mol
LogP3.78
Rot. Bonds6

About N-ethyl-1-(furan-2-carbonyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-2-carboxamide

N-ethyl-1-(furan-2-carbonyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-2-carboxamide (PubChem CID 55965355) has the molecular formula C22H24F3N3O4 and a molecular weight of 451.45 g/mol. Its IUPAC name is N-ethyl-1-(furan-2-carbonyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(furan-2-carbonyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-2-carboxamide
PubChem CID55965355
Molecular FormulaC22H24F3N3O4
Molecular Weight451.45 g/mol
Exact Mass451.17
IUPAC NameN-ethyl-1-(furan-2-carbonyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-2-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C22H24F3N3O4/c1-2-27(14-19(29)26-16-9-4-3-8-15(16)22(23,24)25)20(30)17-10-5-6-12-28(17)21(31)18-11-7-13-32-18/h3-4,7-9,11,13,17H,2,5-6,10,12,14H2,1H3,(H,26,29)
InChIKeyVBZSIUZYZQJZAI-UHFFFAOYSA-N
XLogP3.78
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide
CID 9095217
N-ethyl-1-(furan-2-carbonyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55365472
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974404
(2S)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 24545782
N-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide
CID 46404082
(2S,4S)-N-ethyl-2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide
CID 120617399
[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55936791
2-[acetyl(cyclopentyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159346
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide
CID 8503372
3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid
CID 119232964
(3R)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9095245
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 51211332

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-2-carbonyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-2-carboxamide?
The IUPAC name of N-ethyl-1-(furan-2-carbonyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-2-carboxamide (CID 55965355) is N-ethyl-1-(furan-2-carbonyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-2-carboxamide.
What is the SMILES notation for N-ethyl-1-(furan-2-carbonyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-2-carboxamide?
The canonical SMILES for N-ethyl-1-(furan-2-carbonyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-2-carboxamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCCCN1C(=O)c1ccco1.
What is the InChIKey of N-ethyl-1-(furan-2-carbonyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-2-carboxamide?
The InChIKey is VBZSIUZYZQJZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O4/c1-2-27(14-19(29)26-16-9-4-3-8-15(16)22(23,24)25)20(30)17-10-5-6-12-28(17)21(31)18-11-7-13-32-18/h3-4,7-9,11,13,17H,2,5-6,10,12,14H2,1H3,(H,26,29).
What are the key properties of N-ethyl-1-(furan-2-carbonyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-2-carboxamide?
N-ethyl-1-(furan-2-carbonyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-2-carboxamide has a molecular weight of 451.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(furan-2-carbonyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 55965355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).