3-[4-[1-(3,3,4,4-tetrafluorobutanoyl)piperidin-4-yl]oxyphenyl]-4H-1,2,4-oxadiazol-5-one

C17H17F4N3O4 — CID 166355842

IUPAC3-[4-[1-(3,3,4,4-tetrafluorobutanoyl)piperidin-4-yl]oxyphenyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=C(CC(F)(F)C(F)F)N1CCC(Oc2ccc(-c3noc(=O)[nH]3)cc2)CC1
InChIInChI=1S/C17H17F4N3O4/c18-15(19)17(20,21)9-13(25)24-7-5-12(6-8-24)27-11-3-1-10(2-4-11)14-22-16(26)28-23-14/h1-4,12,15H,5-9H2,(H,22,23,26)
InChIKeyPDMSVGJWLKVGKZ-UHFFFAOYSA-N
MW403.33 g/mol
LogP2.69
Rot. Bonds6

About 3-[4-[1-(3,3,4,4-tetrafluorobutanoyl)piperidin-4-yl]oxyphenyl]-4H-1,2,4-oxadiazol-5-one

3-[4-[1-(3,3,4,4-tetrafluorobutanoyl)piperidin-4-yl]oxyphenyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 166355842) has the molecular formula C17H17F4N3O4 and a molecular weight of 403.33 g/mol. Its IUPAC name is 3-[4-[1-(3,3,4,4-tetrafluorobutanoyl)piperidin-4-yl]oxyphenyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[4-[1-(3,3,4,4-tetrafluorobutanoyl)piperidin-4-yl]oxyphenyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID166355842
Molecular FormulaC17H17F4N3O4
Molecular Weight403.33 g/mol
Exact Mass403.12
IUPAC Name3-[4-[1-(3,3,4,4-tetrafluorobutanoyl)piperidin-4-yl]oxyphenyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=C(CC(F)(F)C(F)F)N1CCC(Oc2ccc(-c3noc(=O)[nH]3)cc2)CC1
InChIInChI=1S/C17H17F4N3O4/c18-15(19)17(20,21)9-13(25)24-7-5-12(6-8-24)27-11-3-1-10(2-4-11)14-22-16(26)28-23-14/h1-4,12,15H,5-9H2,(H,22,23,26)
InChIKeyPDMSVGJWLKVGKZ-UHFFFAOYSA-N
XLogP2.69
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3-[4-[1-(3,3,4,4-tetrafluorobutanoyl)piperidin-4-yl]oxyphenyl]-4H-1,2,4-oxadiazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 118765848
5-(4-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 142705661
1-[4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-1-yl]ethanone
CID 156780426
4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]piperidine-1-carboxylic acid
CID 146461655
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 110396913
3-[5-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365363
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-[(3S)-morpholin-3-yl]ethanone
CID 96581347
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 70711037
6-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 70759958
2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 60858362

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(3,3,4,4-tetrafluorobutanoyl)piperidin-4-yl]oxyphenyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[4-[1-(3,3,4,4-tetrafluorobutanoyl)piperidin-4-yl]oxyphenyl]-4H-1,2,4-oxadiazol-5-one (CID 166355842) is 3-[4-[1-(3,3,4,4-tetrafluorobutanoyl)piperidin-4-yl]oxyphenyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[4-[1-(3,3,4,4-tetrafluorobutanoyl)piperidin-4-yl]oxyphenyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[4-[1-(3,3,4,4-tetrafluorobutanoyl)piperidin-4-yl]oxyphenyl]-4H-1,2,4-oxadiazol-5-one is O=C(CC(F)(F)C(F)F)N1CCC(Oc2ccc(-c3noc(=O)[nH]3)cc2)CC1.
What is the InChIKey of 3-[4-[1-(3,3,4,4-tetrafluorobutanoyl)piperidin-4-yl]oxyphenyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is PDMSVGJWLKVGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N3O4/c18-15(19)17(20,21)9-13(25)24-7-5-12(6-8-24)27-11-3-1-10(2-4-11)14-22-16(26)28-23-14/h1-4,12,15H,5-9H2,(H,22,23,26).
What are the key properties of 3-[4-[1-(3,3,4,4-tetrafluorobutanoyl)piperidin-4-yl]oxyphenyl]-4H-1,2,4-oxadiazol-5-one?
3-[4-[1-(3,3,4,4-tetrafluorobutanoyl)piperidin-4-yl]oxyphenyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 403.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(3,3,4,4-tetrafluorobutanoyl)piperidin-4-yl]oxyphenyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 166355842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).