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

C29H30FN3O — CID 25204681

IUPAC5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccccc1-c1noc(CC2CCN(CCC(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C29H30FN3O/c30-27-14-8-7-13-26(27)29-31-28(34-32-29)21-22-15-18-33(19-16-22)20-17-25(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-14,22,25H,15-21H2
InChIKeyFQIPBIPHXHEUGD-UHFFFAOYSA-N
MW455.58 g/mol
LogP6.35
Rot. Bonds8

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

5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 25204681) has the molecular formula C29H30FN3O and a molecular weight of 455.58 g/mol. Its IUPAC name is 5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
PubChem CID25204681
Molecular FormulaC29H30FN3O
Molecular Weight455.58 g/mol
Exact Mass455.24
IUPAC Name5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccccc1-c1noc(CC2CCN(CCC(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C29H30FN3O/c30-27-14-8-7-13-26(27)29-31-28(34-32-29)21-22-15-18-33(19-16-22)20-17-25(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-14,22,25H,15-21H2
InChIKeyFQIPBIPHXHEUGD-UHFFFAOYSA-N
XLogP6.35
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-1,2,4-oxadiazole
CID 25204685
2-cyclopentyl-1-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 90641150
tert-butyl 4-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylate
CID 75526735
N-cyclopentyl-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 90641345
[(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 99992117
5-ethyl-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 129238942
3-(2-fluorophenyl)-5-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 90641361
3-(2-fluorophenyl)-5-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 90641385
1,3-benzothiazol-2-yl-[(3S)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 99992275
[(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 99992213
4-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]benzonitrile
CID 90641233
(3S)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 99992448

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazole (CID 25204681) is 5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazole is Fc1ccccc1-c1noc(CC2CCN(CCC(c3ccccc3)c3ccccc3)CC2)n1.
What is the InChIKey of 5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is FQIPBIPHXHEUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O/c30-27-14-8-7-13-26(27)29-31-28(34-32-29)21-22-15-18-33(19-16-22)20-17-25(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-14,22,25H,15-21H2.
What are the key properties of 5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazole?
5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 455.58 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 25204681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).