2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C15H15F4N3O — CID 71793483

IUPAC2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFc1cccc(CN2CCC(c3nnc(C(F)(F)F)o3)CC2)c1
InChIInChI=1S/C15H15F4N3O/c16-12-3-1-2-10(8-12)9-22-6-4-11(5-7-22)13-20-21-14(23-13)15(17,18)19/h1-3,8,11H,4-7,9H2
InChIKeyUFRQZGPWNQBQNY-UHFFFAOYSA-N
MW329.30 g/mol
LogP3.61
Rot. Bonds3

About 2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 71793483) has the molecular formula C15H15F4N3O and a molecular weight of 329.30 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID71793483
Molecular FormulaC15H15F4N3O
Molecular Weight329.30 g/mol
Exact Mass329.12
IUPAC Name2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFc1cccc(CN2CCC(c3nnc(C(F)(F)F)o3)CC2)c1
InChIInChI=1S/C15H15F4N3O/c16-12-3-1-2-10(8-12)9-22-6-4-11(5-7-22)13-20-21-14(23-13)15(17,18)19/h1-3,8,11H,4-7,9H2
InChIKeyUFRQZGPWNQBQNY-UHFFFAOYSA-N
XLogP3.61
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Benzylpiperidin-4-YL)-1,3,4-oxadiazole
CID 24950366
(4-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(2,4-difluorophenyl)methanone
CID 44062151
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(4-fluorobenzyl)piperidine-1-carboxamide
CID 44067579
2-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole
CID 51137161
(2-Fluorophenyl)(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 71792957
N-benzyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 71792984
2-(1-(2-Chlorobenzyl)piperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 71793480
2-((4-(5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methyl)benzonitrile
CID 71793482
N-benzyl-2-(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)acetamide
CID 71793506
2-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazole
CID 56774408
2-Isopropyl-5-(1-(3-(trifluoromethyl)benzyl)piperidin-4-yl)-1,3,4-oxadiazole
CID 49669471
2-(1-(2-Chloro-6-fluorobenzyl)piperidin-4-yl)-5-cyclopropyl-1,3,4-oxadiazole
CID 49702861

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 71793483) is 2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is Fc1cccc(CN2CCC(c3nnc(C(F)(F)F)o3)CC2)c1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is UFRQZGPWNQBQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O/c16-12-3-1-2-10(8-12)9-22-6-4-11(5-7-22)13-20-21-14(23-13)15(17,18)19/h1-3,8,11H,4-7,9H2.
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 329.30 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 71793483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).