1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C24H25FN4O2S — CID 55815883

IUPAC1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(C(=O)Nc3ccc(F)cc3)c3ccccc3)CC2)n1
InChIInChI=1S/C24H25FN4O2S/c1-16-15-32-24(26-16)28-22(30)18-11-13-29(14-12-18)21(17-5-3-2-4-6-17)23(31)27-20-9-7-19(25)8-10-20/h2-10,15,18,21H,11-14H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyKRDQPPPRJPRZKB-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.62
Rot. Bonds6

About 1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 55815883) has the molecular formula C24H25FN4O2S and a molecular weight of 452.56 g/mol. Its IUPAC name is 1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID55815883
Molecular FormulaC24H25FN4O2S
Molecular Weight452.56 g/mol
Exact Mass452.17
IUPAC Name1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(C(=O)Nc3ccc(F)cc3)c3ccccc3)CC2)n1
InChIInChI=1S/C24H25FN4O2S/c1-16-15-32-24(26-16)28-22(30)18-11-13-29(14-12-18)21(17-5-3-2-4-6-17)23(31)27-20-9-7-19(25)8-10-20/h2-10,15,18,21H,11-14H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyKRDQPPPRJPRZKB-UHFFFAOYSA-N
XLogP4.62
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 43062016
1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55910553
1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 52538543
(2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 2563574
2-(4-hydroxypiperidin-1-yl)-N-(6-methyl-3-pyridinyl)-2-phenylacetamide
CID 75503728
N-(4-methyl-1,3-thiazol-2-yl)-1-[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidine-4-carboxamide
CID 51961435
(2R)-2-(4-ethoxypiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 95786189
(2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide
CID 124565294
1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41183176
1-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 41112937
1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
CID 119907322
(2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]-2-phenylacetamide
CID 96522230

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 55815883) is 1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1csc(NC(=O)C2CCN(C(C(=O)Nc3ccc(F)cc3)c3ccccc3)CC2)n1.
What is the InChIKey of 1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is KRDQPPPRJPRZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2S/c1-16-15-32-24(26-16)28-22(30)18-11-13-29(14-12-18)21(17-5-3-2-4-6-17)23(31)27-20-9-7-19(25)8-10-20/h2-10,15,18,21H,11-14H2,1H3,(H,27,31)(H,26,28,30).
What are the key properties of 1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55815883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).