pyrrolidin-1-yl-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone

C21H25F3N4O2 — CID 25376306

IUPACpyrrolidin-1-yl-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)CC1)N1CCCC1
InChIInChI=1S/C21H25F3N4O2/c22-21(23,24)17-5-3-4-15(12-17)13-18-25-19(30-26-18)14-27-10-6-16(7-11-27)20(29)28-8-1-2-9-28/h3-5,12,16H,1-2,6-11,13-14H2
InChIKeyWBJCJOPRGIZZMJ-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.51
Rot. Bonds5

About pyrrolidin-1-yl-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone

pyrrolidin-1-yl-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone (PubChem CID 25376306) has the molecular formula C21H25F3N4O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is pyrrolidin-1-yl-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
PubChem CID25376306
Molecular FormulaC21H25F3N4O2
Molecular Weight422.45 g/mol
Exact Mass422.19
IUPAC Namepyrrolidin-1-yl-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)CC1)N1CCCC1
InChIInChI=1S/C21H25F3N4O2/c22-21(23,24)17-5-3-4-15(12-17)13-18-25-19(30-26-18)14-27-10-6-16(7-11-27)20(29)28-8-1-2-9-28/h3-5,12,16H,1-2,6-11,13-14H2
InChIKeyWBJCJOPRGIZZMJ-UHFFFAOYSA-N
XLogP3.51
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 45226266
[(3S)-1-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-yl]methanol
CID 25366802
[(3R)-1-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-yl]methanol
CID 25366798
pyridin-2-yl-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanone
CID 45182952
pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone
CID 25448752
5-[(3-methoxypiperidin-1-yl)methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
CID 45182318
N-methyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 24595481
cyclohexyl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329676
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 46857751
5-[[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
CID 25302716
ethyl 1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxylate
CID 55486767
N,N-dimethyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 46407078

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone (CID 25376306) is pyrrolidin-1-yl-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone is O=C(C1CCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)CC1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone?
The InChIKey is WBJCJOPRGIZZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O2/c22-21(23,24)17-5-3-4-15(12-17)13-18-25-19(30-26-18)14-27-10-6-16(7-11-27)20(29)28-8-1-2-9-28/h3-5,12,16H,1-2,6-11,13-14H2.
What are the key properties of pyrrolidin-1-yl-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone?
pyrrolidin-1-yl-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone has a molecular weight of 422.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 25376306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).