1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C22H23F4N3O2 — CID 43062016

IUPAC1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(C(C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1
InChIInChI=1S/C22H23F4N3O2/c23-17-6-8-18(9-7-17)28-21(31)19(15-4-2-1-3-5-15)29-12-10-16(11-13-29)20(30)27-14-22(24,25)26/h1-9,16,19H,10-14H2,(H,27,30)(H,28,31)
InChIKeyMLDXUIHDMWDSKB-UHFFFAOYSA-N
MW437.44 g/mol
LogP3.90
Rot. Bonds6

About 1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 43062016) has the molecular formula C22H23F4N3O2 and a molecular weight of 437.44 g/mol. Its IUPAC name is 1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID43062016
Molecular FormulaC22H23F4N3O2
Molecular Weight437.44 g/mol
Exact Mass437.17
IUPAC Name1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(C(C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1
InChIInChI=1S/C22H23F4N3O2/c23-17-6-8-18(9-7-17)28-21(31)19(15-4-2-1-3-5-15)29-12-10-16(11-13-29)20(30)27-14-22(24,25)26/h1-9,16,19H,10-14H2,(H,27,30)(H,28,31)
InChIKeyMLDXUIHDMWDSKB-UHFFFAOYSA-N
XLogP3.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55910553
1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55815883
(2R)-2-phenyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 94749994
(2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide
CID 124565294
1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
CID 119907322
(2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide
CID 124590924
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 32701204
(2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide
CID 124514274
(2S)-N-(4-fluorophenyl)-2-[4-[(2S)-1-hydroxybutan-2-yl]piperazin-1-yl]-2-phenylacetamide
CID 124607905
1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 52538543
(2R)-2-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 124777649
N-[4-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]amino]phenyl]cyclopropanecarboxamide
CID 56573573

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 43062016) is 1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(NCC(F)(F)F)C1CCN(C(C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1.
What is the InChIKey of 1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is MLDXUIHDMWDSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4N3O2/c23-17-6-8-18(9-7-17)28-21(31)19(15-4-2-1-3-5-15)29-12-10-16(11-13-29)20(30)27-14-22(24,25)26/h1-9,16,19H,10-14H2,(H,27,30)(H,28,31).
What are the key properties of 1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 437.44 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 43062016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).