1-[2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]ethanone

C25H23F3N2O3S — CID 142983084

IUPAC1-[2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(C2CCN(C(=O)c3cccc(C)c3-c3ccc(OC(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C25H23F3N2O3S/c1-15-4-3-5-20(22(15)17-6-8-19(9-7-17)33-25(26,27)28)24(32)30-12-10-18(11-13-30)23-29-21(14-34-23)16(2)31/h3-9,14,18H,10-13H2,1-2H3
InChIKeyNEZUYKMBHWNFDX-UHFFFAOYSA-N
MW488.53 g/mol
LogP6.24
Rot. Bonds5

About 1-[2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]ethanone

1-[2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]ethanone (PubChem CID 142983084) has the molecular formula C25H23F3N2O3S and a molecular weight of 488.53 g/mol. Its IUPAC name is 1-[2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]ethanone
PubChem CID142983084
Molecular FormulaC25H23F3N2O3S
Molecular Weight488.53 g/mol
Exact Mass488.14
IUPAC Name1-[2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(C2CCN(C(=O)c3cccc(C)c3-c3ccc(OC(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C25H23F3N2O3S/c1-15-4-3-5-20(22(15)17-6-8-19(9-7-17)33-25(26,27)28)24(32)30-12-10-18(11-13-30)23-29-21(14-34-23)16(2)31/h3-9,14,18H,10-13H2,1-2H3
InChIKeyNEZUYKMBHWNFDX-UHFFFAOYSA-N
XLogP6.24
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.53
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 68991016
N-ethyl-2-[1-[3-methyl-2-[4-(2,2,2-trifluoroethyl)phenyl]benzoyl]piperidin-4-yl]-N-(1-oxo-1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 59208662
2-[1-[2-[4-(1,1-difluoroethyl)phenyl]benzoyl]piperidin-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 142982842
ethyl 2-[[2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 3760095
2-[1-(acetylcarbamothioyl)piperidin-4-yl]-N-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 59210185
2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbaldehyde
CID 154065618
1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone;ethane
CID 142982952
[4-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 59208771
2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 3689654
[4-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 3715646
[4-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 67309841
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3559119

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]ethanone (CID 142983084) is 1-[2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(C2CCN(C(=O)c3cccc(C)c3-c3ccc(OC(F)(F)F)cc3)CC2)n1.
What is the InChIKey of 1-[2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is NEZUYKMBHWNFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O3S/c1-15-4-3-5-20(22(15)17-6-8-19(9-7-17)33-25(26,27)28)24(32)30-12-10-18(11-13-30)23-29-21(14-34-23)16(2)31/h3-9,14,18H,10-13H2,1-2H3.
What are the key properties of 1-[2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]ethanone?
1-[2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 488.53 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 142983084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).