2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone

C13H16F2N2O — CID 28582835

IUPAC2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone
SMILESO=C(CNc1ccc(F)cc1F)N1CCCCC1
InChIInChI=1S/C13H16F2N2O/c14-10-4-5-12(11(15)8-10)16-9-13(18)17-6-2-1-3-7-17/h4-5,8,16H,1-3,6-7,9H2
InChIKeyMJRSCDLWQAZFPC-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.39
Rot. Bonds3

About 2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone

2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone (PubChem CID 28582835) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone
PubChem CID28582835
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone
SMILESO=C(CNc1ccc(F)cc1F)N1CCCCC1
InChIInChI=1S/C13H16F2N2O/c14-10-4-5-12(11(15)8-10)16-9-13(18)17-6-2-1-3-7-17/h4-5,8,16H,1-3,6-7,9H2
InChIKeyMJRSCDLWQAZFPC-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluoroanilino)-1-morpholin-4-ylethanone
CID 28582837
2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone
CID 28826126
2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 28939346
2-(4-chloro-2-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 60631356
1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone
CID 55118306
3-fluoro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 79769787
5-fluoro-2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 79771129
ethyl 4-[2-(2,4-difluoroanilino)acetyl]piperazine-1-carboxylate
CID 109003914
2-(2-bromo-5-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 113319310
methyl 3-fluoro-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzoate
CID 75497888
1-(azepan-1-yl)-2-(2,5-difluoro-4-methylanilino)ethanone
CID 103585764
2-(2,4-difluoroanilino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 109000108

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone (CID 28582835) is 2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone is O=C(CNc1ccc(F)cc1F)N1CCCCC1.
What is the InChIKey of 2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone?
The InChIKey is MJRSCDLWQAZFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-10-4-5-12(11(15)8-10)16-9-13(18)17-6-2-1-3-7-17/h4-5,8,16H,1-3,6-7,9H2.
What are the key properties of 2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone?
2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone has a molecular weight of 254.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 28582835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).