1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one

C16H22F2N2O3S — CID 133282595

IUPAC1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(Nc2ccccc2S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C16H22F2N2O3S/c1-11(2)15(21)20-9-7-12(8-10-20)19-13-5-3-4-6-14(13)24(22,23)16(17)18/h3-6,11-12,16,19H,7-10H2,1-2H3
InChIKeyPPHVILWGUPGVQL-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.74
Rot. Bonds5

About 1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 133282595) has the molecular formula C16H22F2N2O3S and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID133282595
Molecular FormulaC16H22F2N2O3S
Molecular Weight360.43 g/mol
Exact Mass360.13
IUPAC Name1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(Nc2ccccc2S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C16H22F2N2O3S/c1-11(2)15(21)20-9-7-12(8-10-20)19-13-5-3-4-6-14(13)24(22,23)16(17)18/h3-6,11-12,16,19H,7-10H2,1-2H3
InChIKeyPPHVILWGUPGVQL-UHFFFAOYSA-N
XLogP2.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 43738170
N-[2-(difluoromethylsulfonyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55760614
2-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclopentyl)aniline
CID 64922621
(4-anilinopiperidin-1-yl)-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone
CID 86936158
4-[2-(difluoromethylsulfonyl)anilino]cyclopent-2-ene-1-carboxylic acid
CID 79192554
pyridin-4-yl-[4-[2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone
CID 49430103
N-[2-(methoxymethyl)phenyl]-1-propan-2-ylpiperidin-4-amine
CID 43677869
2-hydroxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 108551446
2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one
CID 39165581
N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
CID 60630209
1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 55699121
3-[2-(difluoromethylsulfonyl)anilino]-2,2-dimethylpropanoic acid
CID 115427654

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one (CID 133282595) is 1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(Nc2ccccc2S(=O)(=O)C(F)F)CC1.
What is the InChIKey of 1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is PPHVILWGUPGVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3S/c1-11(2)15(21)20-9-7-12(8-10-20)19-13-5-3-4-6-14(13)24(22,23)16(17)18/h3-6,11-12,16,19H,7-10H2,1-2H3.
What are the key properties of 1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 360.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 133282595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).