[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

C19H20F3N3O4 — CID 163338950

IUPAC[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCCC(OCc2nc(C3CC3)no2)C1
InChIInChI=1S/C19H20F3N3O4/c20-19(21,22)28-14-7-5-13(6-8-14)18(26)25-9-1-2-15(10-25)27-11-16-23-17(24-29-16)12-3-4-12/h5-8,12,15H,1-4,9-11H2
InChIKeyZAAMFWZFSPMZBT-UHFFFAOYSA-N
MW411.38 g/mol
LogP3.67
Rot. Bonds6

About [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 163338950) has the molecular formula C19H20F3N3O4 and a molecular weight of 411.38 g/mol. Its IUPAC name is [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID163338950
Molecular FormulaC19H20F3N3O4
Molecular Weight411.38 g/mol
Exact Mass411.14
IUPAC Name[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCCC(OCc2nc(C3CC3)no2)C1
InChIInChI=1S/C19H20F3N3O4/c20-19(21,22)28-14-7-5-13(6-8-14)18(26)25-9-1-2-15(10-25)27-11-16-23-17(24-29-16)12-3-4-12/h5-8,12,15H,1-4,9-11H2
InChIKeyZAAMFWZFSPMZBT-UHFFFAOYSA-N
XLogP3.67
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone with MolForge

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Related Compounds

[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-thiophen-3-ylmethanone
CID 71687021
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
CID 71687010
cyclohexyl-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
CID 163338903
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 163339001
(3R)-N-benzyl-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide
CID 95990869
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221984
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221983
1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 95990830
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 124575485
[(3S)-3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93223765
(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223787
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
CID 163339418

Frequently Asked Questions

What is the IUPAC name of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (CID 163338950) is [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)(F)F)cc1)N1CCCC(OCc2nc(C3CC3)no2)C1.
What is the InChIKey of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is ZAAMFWZFSPMZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O4/c20-19(21,22)28-14-7-5-13(6-8-14)18(26)25-9-1-2-15(10-25)27-11-16-23-17(24-29-16)12-3-4-12/h5-8,12,15H,1-4,9-11H2.
What are the key properties of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 411.38 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 163338950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).