1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone

C13H15F3N2O — CID 55118306

IUPAC1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone
SMILESO=C(CNc1cc(F)c(F)cc1F)N1CCCCC1
InChIInChI=1S/C13H15F3N2O/c14-9-6-11(16)12(7-10(9)15)17-8-13(19)18-4-2-1-3-5-18/h6-7,17H,1-5,8H2
InChIKeyYYHLGXGLKGOHPE-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.53
Rot. Bonds3

About 1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone

1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone (PubChem CID 55118306) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone
PubChem CID55118306
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone
SMILESO=C(CNc1cc(F)c(F)cc1F)N1CCCCC1
InChIInChI=1S/C13H15F3N2O/c14-9-6-11(16)12(7-10(9)15)17-8-13(19)18-4-2-1-3-5-18/h6-7,17H,1-5,8H2
InChIKeyYYHLGXGLKGOHPE-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(azepan-1-yl)-2-(2,5-difluoro-4-methylanilino)ethanone
CID 103585764
2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone
CID 28582835
2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone
CID 28826126
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(2,4,5-trifluoroanilino)acetamide
CID 75475826
2-(4-chloro-2-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 60631356
3-fluoro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 79769787
2-(2-amino-4-bromo-5-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 113405855
1-(azepan-1-yl)-2-(5-bromo-4-fluoro-2-methylanilino)ethanone
CID 103238791
2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone
CID 65467650
2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 28939346
methyl 3-fluoro-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzoate
CID 75497888
2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone
CID 28568208

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone (CID 55118306) is 1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone is O=C(CNc1cc(F)c(F)cc1F)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone?
The InChIKey is YYHLGXGLKGOHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-9-6-11(16)12(7-10(9)15)17-8-13(19)18-4-2-1-3-5-18/h6-7,17H,1-5,8H2.
What are the key properties of 1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone?
1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone has a molecular weight of 272.27 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone is sourced from PubChem (CID 55118306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).