N-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-N-methylacetamide

C15H18F4N2O3S — CID 133284294

IUPACN-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H18F4N2O3S/c1-10(22)20(2)12-5-7-21(8-6-12)13-4-3-11(16)9-14(13)25(23,24)15(17,18)19/h3-4,9,12H,5-8H2,1-2H3
InChIKeyCXULAPSMGUWLBX-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.57
Rot. Bonds3

About N-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-N-methylacetamide

N-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-N-methylacetamide (PubChem CID 133284294) has the molecular formula C15H18F4N2O3S and a molecular weight of 382.38 g/mol. Its IUPAC name is N-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-N-methylacetamide
PubChem CID133284294
Molecular FormulaC15H18F4N2O3S
Molecular Weight382.38 g/mol
Exact Mass382.10
IUPAC NameN-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H18F4N2O3S/c1-10(22)20(2)12-5-7-21(8-6-12)13-4-3-11(16)9-14(13)25(23,24)15(17,18)19/h3-4,9,12H,5-8H2,1-2H3
InChIKeyCXULAPSMGUWLBX-UHFFFAOYSA-N
XLogP2.57
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol
CID 133446523
1-(cyclopropylmethyl)-4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperazine
CID 133283739
1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-pyrazol-1-ylpiperidine
CID 133284456
5-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 133283907
3-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 133284808
4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-1,4-thiazepane
CID 133283409
[(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol
CID 95697257
1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-pyrrolidin-1-ylpiperidine
CID 133283522
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 86810891
4-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]pyrimidin-2-amine
CID 102563444
4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-2-(trifluoromethylsulfonyl)aniline
CID 133284902
3-[(2,5-difluorophenyl)sulfonylamino]-4-(4-methylpiperidin-1-yl)benzoic acid
CID 46292347

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-N-methylacetamide (CID 133284294) is N-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-N-methylacetamide?
The InChIKey is CXULAPSMGUWLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4N2O3S/c1-10(22)20(2)12-5-7-21(8-6-12)13-4-3-11(16)9-14(13)25(23,24)15(17,18)19/h3-4,9,12H,5-8H2,1-2H3.
What are the key properties of N-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-N-methylacetamide?
N-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-N-methylacetamide has a molecular weight of 382.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 133284294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).