3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide

C19H24F3N3O2S — CID 55946390

IUPAC3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
SMILESO=C(CCN1CCSC1=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H24F3N3O2S/c20-19(21,22)15-3-1-2-14(12-15)13-24-7-4-16(5-8-24)23-17(26)6-9-25-10-11-28-18(25)27/h1-3,12,16H,4-11,13H2,(H,23,26)
InChIKeyYDXFWPDZPSFFTK-UHFFFAOYSA-N
MW415.48 g/mol
LogP3.34
Rot. Bonds6

About 3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide

3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide (PubChem CID 55946390) has the molecular formula C19H24F3N3O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is 3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
PubChem CID55946390
Molecular FormulaC19H24F3N3O2S
Molecular Weight415.48 g/mol
Exact Mass415.15
IUPAC Name3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
SMILESO=C(CCN1CCSC1=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H24F3N3O2S/c20-19(21,22)15-3-1-2-14(12-15)13-24-7-4-16(5-8-24)23-17(26)6-9-25-10-11-28-18(25)27/h1-3,12,16H,4-11,13H2,(H,23,26)
InChIKeyYDXFWPDZPSFFTK-UHFFFAOYSA-N
XLogP3.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 55959421
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18121098
3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 18105827
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
N-(1-benzylpyrrolidin-3-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18156427
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 55945248
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-[4-(methylsulfamoyl)phenyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 55945493
N-cyclohexyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 60681979
2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 67357202
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 55946525

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide (CID 55946390) is 3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide is O=C(CCN1CCSC1=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The InChIKey is YDXFWPDZPSFFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2S/c20-19(21,22)15-3-1-2-14(12-15)13-24-7-4-16(5-8-24)23-17(26)6-9-25-10-11-28-18(25)27/h1-3,12,16H,4-11,13H2,(H,23,26).
What are the key properties of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide has a molecular weight of 415.48 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 55946390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).