1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide

C21H19F4N3O3 — CID 17471154

IUPAC1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide
SMILESO=C(CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C21H19F4N3O3/c22-14-3-1-13(2-4-14)21(31)28-9-7-12(8-10-28)20(30)26-11-17(29)27-16-6-5-15(23)18(24)19(16)25/h1-6,12H,7-11H2,(H,26,30)(H,27,29)
InChIKeyBCOLBCVEYVYSCQ-UHFFFAOYSA-N
MW437.39 g/mol
LogP2.85
Rot. Bonds5

About 1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide

1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide (PubChem CID 17471154) has the molecular formula C21H19F4N3O3 and a molecular weight of 437.39 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide
PubChem CID17471154
Molecular FormulaC21H19F4N3O3
Molecular Weight437.39 g/mol
Exact Mass437.14
IUPAC Name1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide
SMILESO=C(CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C21H19F4N3O3/c22-14-3-1-13(2-4-14)21(31)28-9-7-12(8-10-28)20(30)26-11-17(29)27-16-6-5-15(23)18(24)19(16)25/h1-6,12H,7-11H2,(H,26,30)(H,27,29)
InChIKeyBCOLBCVEYVYSCQ-UHFFFAOYSA-N
XLogP2.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
CID 17497247
1-(4-chlorobenzoyl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 17498503
1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 24534971
N-(4-chloro-2-fluorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 7961244
1-(2,4-difluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 78803399
methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754252
4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109044714
(2R)-1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 92664975
N-(4-bromo-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223908
N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 8923714
methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate
CID 8741884
N-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223887

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide (CID 17471154) is 1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide is O=C(CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide?
The InChIKey is BCOLBCVEYVYSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N3O3/c22-14-3-1-13(2-4-14)21(31)28-9-7-12(8-10-28)20(30)26-11-17(29)27-16-6-5-15(23)18(24)19(16)25/h1-6,12H,7-11H2,(H,26,30)(H,27,29).
What are the key properties of 1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide has a molecular weight of 437.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 17471154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).