[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methanone

C16H22F3N3O2 — CID 95734324

IUPAC[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESCc1nc([C@@H]2CCCN(C(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)C2)no1
InChIInChI=1S/C16H22F3N3O2/c1-10-20-14(21-24-10)12-5-3-7-22(9-12)15(23)11-4-2-6-13(8-11)16(17,18)19/h11-13H,2-9H2,1H3/t11-,12+,13-/m0/s1
InChIKeyMKIXSFUEFKDHNS-XQQFMLRXSA-N
MW345.37 g/mol
LogP3.45
Rot. Bonds2

About [(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methanone

[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 95734324) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is [(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID95734324
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESCc1nc([C@@H]2CCCN(C(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)C2)no1
InChIInChI=1S/C16H22F3N3O2/c1-10-20-14(21-24-10)12-5-3-7-22(9-12)15(23)11-4-2-6-13(8-11)16(17,18)19/h11-13H,2-9H2,1H3/t11-,12+,13-/m0/s1
InChIKeyMKIXSFUEFKDHNS-XQQFMLRXSA-N
XLogP3.45
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(2R)-1-methylpiperidin-2-yl]methanone
CID 95765308
2-hydroxy-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 110269368
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734429
(2R)-2-(azepan-1-yl)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 95769279
[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 129427272
[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 129426974
[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 129426975
(4-tert-butylazepan-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 102557378
1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone
CID 95734342
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734524
(1-tert-butylpyrazol-4-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734817
[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95776393

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methanone (CID 95734324) is [(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methanone is Cc1nc([C@@H]2CCCN(C(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)C2)no1.
What is the InChIKey of [(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is MKIXSFUEFKDHNS-XQQFMLRXSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-10-20-14(21-24-10)12-5-3-7-22(9-12)15(23)11-4-2-6-13(8-11)16(17,18)19/h11-13H,2-9H2,1H3/t11-,12+,13-/m0/s1.
What are the key properties of [(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 345.37 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 95734324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).