[(2S,3R)-3-methyloxolan-2-yl]-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

C15H20F3N3O2 — CID 124725259

IUPAC[(2S,3R)-3-methyloxolan-2-yl]-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C15H20F3N3O2/c1-9-4-6-23-12(9)14(22)21-5-2-3-10(8-21)13-19-7-11(20-13)15(16,17)18/h7,9-10,12H,2-6,8H2,1H3,(H,19,20)/t9-,10-,12+/m1/s1
InChIKeyBAZIVBZHLURDJK-FOGDFJRCSA-N
MW331.34 g/mol
LogP2.56
Rot. Bonds2

About [(2S,3R)-3-methyloxolan-2-yl]-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

[(2S,3R)-3-methyloxolan-2-yl]-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 124725259) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is [(2S,3R)-3-methyloxolan-2-yl]-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,3R)-3-methyloxolan-2-yl]-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID124725259
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name[(2S,3R)-3-methyloxolan-2-yl]-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C15H20F3N3O2/c1-9-4-6-23-12(9)14(22)21-5-2-3-10(8-21)13-19-7-11(20-13)15(16,17)18/h7,9-10,12H,2-6,8H2,1H3,(H,19,20)/t9-,10-,12+/m1/s1
InChIKeyBAZIVBZHLURDJK-FOGDFJRCSA-N
XLogP2.56
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-methyloxolan-2-yl]-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [(2S,3R)-3-methyloxolan-2-yl]-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (CID 124725259) is [(2S,3R)-3-methyloxolan-2-yl]-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [(2S,3R)-3-methyloxolan-2-yl]-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [(2S,3R)-3-methyloxolan-2-yl]-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1.
What is the InChIKey of [(2S,3R)-3-methyloxolan-2-yl]-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is BAZIVBZHLURDJK-FOGDFJRCSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-9-4-6-23-12(9)14(22)21-5-2-3-10(8-21)13-19-7-11(20-13)15(16,17)18/h7,9-10,12H,2-6,8H2,1H3,(H,19,20)/t9-,10-,12+/m1/s1.
What are the key properties of [(2S,3R)-3-methyloxolan-2-yl]-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
[(2S,3R)-3-methyloxolan-2-yl]-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 331.34 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-methyloxolan-2-yl]-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 124725259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).