[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone

C16H21F3N2OS — CID 95770072

IUPAC[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCCC[C@@H]1c1nccs1
InChIInChI=1S/C16H21F3N2OS/c17-16(18,19)12-5-3-4-11(10-12)15(22)21-8-2-1-6-13(21)14-20-7-9-23-14/h7,9,11-13H,1-6,8,10H2/t11-,12+,13-/m1/s1
InChIKeyHIBVFONIZXZQGG-FRRDWIJNSA-N
MW346.42 g/mol
LogP4.57
Rot. Bonds2

About [(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone

[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 95770072) has the molecular formula C16H21F3N2OS and a molecular weight of 346.42 g/mol. Its IUPAC name is [(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID95770072
Molecular FormulaC16H21F3N2OS
Molecular Weight346.42 g/mol
Exact Mass346.13
IUPAC Name[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCCC[C@@H]1c1nccs1
InChIInChI=1S/C16H21F3N2OS/c17-16(18,19)12-5-3-4-11(10-12)15(22)21-8-2-1-6-13(21)14-20-7-9-23-14/h7,9,11-13H,1-6,8,10H2/t11-,12+,13-/m1/s1
InChIKeyHIBVFONIZXZQGG-FRRDWIJNSA-N
XLogP4.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone with MolForge

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Related Compounds

(2R)-2-amino-2-cyclohexyl-1-[(2R)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone
CID 70682948
(2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone
CID 70687195
Cyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone
CID 84595435
N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 110234598
[2-(1,3-Thiazol-2-yl)piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 72134084
[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
CID 95770071
[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 100850181
(4,4-Difluorocyclohexyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110106766
(4,4-Difluorocyclohexyl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110114340
N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110289669
2,2,2-Trifluoro-1-[2-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 110289815
2,2,2-Trifluoro-1-[4-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110289816

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone (CID 95770072) is [(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone is O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCCC[C@@H]1c1nccs1.
What is the InChIKey of [(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is HIBVFONIZXZQGG-FRRDWIJNSA-N. The full InChI is InChI=1S/C16H21F3N2OS/c17-16(18,19)12-5-3-4-11(10-12)15(22)21-8-2-1-6-13(21)14-20-7-9-23-14/h7,9,11-13H,1-6,8,10H2/t11-,12+,13-/m1/s1.
What are the key properties of [(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 346.42 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 95770072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).