[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

C20H27F3N2O3S — CID 17465292

IUPAC[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC(C(F)(F)F)C3)CC2)cc1C
InChIInChI=1S/C20H27F3N2O3S/c1-14-5-6-18(12-15(14)2)29(27,28)25-10-7-16(8-11-25)19(26)24-9-3-4-17(13-24)20(21,22)23/h5-6,12,16-17H,3-4,7-11,13H2,1-2H3
InChIKeyQRFPVHRIVACNMM-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.51
Rot. Bonds3

About [1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 17465292) has the molecular formula C20H27F3N2O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is [1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID17465292
Molecular FormulaC20H27F3N2O3S
Molecular Weight432.51 g/mol
Exact Mass432.17
IUPAC Name[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC(C(F)(F)F)C3)CC2)cc1C
InChIInChI=1S/C20H27F3N2O3S/c1-14-5-6-18(12-15(14)2)29(27,28)25-10-7-16(8-11-25)19(26)24-9-3-4-17(13-24)20(21,22)23/h5-6,12,16-17H,3-4,7-11,13H2,1-2H3
InChIKeyQRFPVHRIVACNMM-UHFFFAOYSA-N
XLogP3.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

3-Methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 717239
Cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 3874660
1-[4-(3,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 4042358
[1-(4-Methylphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 4522044
1-[4-(4-Cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-methylbutan-1-one
CID 9298567
(3,5-Dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 17461622
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 24819910
N-[2-(cyclohexen-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 25162779
(2S)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-1-(4,4-difluoropiperidin-1-yl)propan-1-one
CID 162645720
2-[4-(4-Tert-butylphenyl)sulfonylpiperazin-1-yl]-1-(4,4-difluoropiperidin-1-yl)propan-1-one
CID 162652927
[1-(4-Fluorophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 1090957
1-[4-[1-[2-(Trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 2394568

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 17465292) is [1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC(C(F)(F)F)C3)CC2)cc1C.
What is the InChIKey of [1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is QRFPVHRIVACNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O3S/c1-14-5-6-18(12-15(14)2)29(27,28)25-10-7-16(8-11-25)19(26)24-9-3-4-17(13-24)20(21,22)23/h5-6,12,16-17H,3-4,7-11,13H2,1-2H3.
What are the key properties of [1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 432.51 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 17465292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).