4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one

C18H20F3N3O2 — CID 90539912

IUPAC4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
SMILESO=C(CCCc1ccccc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C18H20F3N3O2/c19-18(20,21)17-23-22-16(26-17)14-9-11-24(12-10-14)15(25)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2
InChIKeyBRLNHUJYWRIOLQ-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.82
Rot. Bonds5

About 4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one

4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one (PubChem CID 90539912) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
PubChem CID90539912
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
SMILESO=C(CCCc1ccccc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C18H20F3N3O2/c19-18(20,21)17-23-22-16(26-17)14-9-11-24(12-10-14)15(25)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2
InChIKeyBRLNHUJYWRIOLQ-UHFFFAOYSA-N
XLogP3.82
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-oxo-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butyl]isoindole-1,3-dione
CID 90539984
3-cyclopentyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 90539832
1-(4-chlorophenyl)-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butane-1,4-dione
CID 90539805
2-(1-benzylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 90542207
2-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 71792964
4-(4-chlorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110618137
cyclopropyl-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 71792951
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 90539924
(3,5-dimethylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539839
4-cyclopropyl-2-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 90540707
methyl 4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzoate
CID 90539808

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one (CID 90539912) is 4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one is O=C(CCCc1ccccc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of 4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one?
The InChIKey is BRLNHUJYWRIOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c19-18(20,21)17-23-22-16(26-17)14-9-11-24(12-10-14)15(25)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2.
What are the key properties of 4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one?
4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one has a molecular weight of 367.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 90539912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).