N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide

C16H18F6N2OS — CID 55945248

IUPACN-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H18F6N2OS/c17-15(18,19)12-3-1-2-11(8-12)9-24-6-4-13(5-7-24)23-14(25)10-26-16(20,21)22/h1-3,8,13H,4-7,9-10H2,(H,23,25)
InChIKeyAZMMRWDQOUGVPX-UHFFFAOYSA-N
MW400.39 g/mol
LogP4.04
Rot. Bonds5

About N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide

N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 55945248) has the molecular formula C16H18F6N2OS and a molecular weight of 400.39 g/mol. Its IUPAC name is N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
PubChem CID55945248
Molecular FormulaC16H18F6N2OS
Molecular Weight400.39 g/mol
Exact Mass400.10
IUPAC NameN-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H18F6N2OS/c17-15(18,19)12-3-1-2-11(8-12)9-24-6-4-13(5-7-24)23-14(25)10-26-16(20,21)22/h1-3,8,13H,4-7,9-10H2,(H,23,25)
InChIKeyAZMMRWDQOUGVPX-UHFFFAOYSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 163345849
2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 86812682
3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 55946390
2-(2-methylindol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 55946647
3-[4-(methylsulfamoyl)phenyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 55945493
4-[[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]methyl]benzoic acid
CID 167874854
N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 18088721
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
1-(1-benzylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 3848011
3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55945762
2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride
CID 120798427

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide (CID 55945248) is N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide is O=C(CSC(F)(F)F)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is AZMMRWDQOUGVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F6N2OS/c17-15(18,19)12-3-1-2-11(8-12)9-24-6-4-13(5-7-24)23-14(25)10-26-16(20,21)22/h1-3,8,13H,4-7,9-10H2,(H,23,25).
What are the key properties of N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide?
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 400.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 55945248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).