[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone

C22H22FN3O3 — CID 51696605

IUPAC[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@H](c3nnc(Cc4ccc(F)cc4)o3)C2)cc1
InChIInChI=1S/C22H22FN3O3/c1-28-19-10-6-16(7-11-19)22(27)26-12-2-3-17(14-26)21-25-24-20(29-21)13-15-4-8-18(23)9-5-15/h4-11,17H,2-3,12-14H2,1H3/t17-/m1/s1
InChIKeyWYFKYRQODABPMN-QGZVFWFLSA-N
MW395.43 g/mol
LogP3.83
Rot. Bonds5

About [(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone

[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 51696605) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is [(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID51696605
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@H](c3nnc(Cc4ccc(F)cc4)o3)C2)cc1
InChIInChI=1S/C22H22FN3O3/c1-28-19-10-6-16(7-11-19)22(27)26-12-2-3-17(14-26)21-25-24-20(29-21)13-15-4-8-18(23)9-5-15/h4-11,17H,2-3,12-14H2,1H3/t17-/m1/s1
InChIKeyWYFKYRQODABPMN-QGZVFWFLSA-N
XLogP3.83
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540104
(4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615785
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 3553771
(4-ethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069342
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 121069773
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 121069339
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 121069343
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 121069334
(4-fluorophenyl)-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 132654703
(3,4-dimethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069346
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221983
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221984

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone (CID 51696605) is [(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCC[C@@H](c3nnc(Cc4ccc(F)cc4)o3)C2)cc1.
What is the InChIKey of [(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is WYFKYRQODABPMN-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-28-19-10-6-16(7-11-19)22(27)26-12-2-3-17(14-26)21-25-24-20(29-21)13-15-4-8-18(23)9-5-15/h4-11,17H,2-3,12-14H2,1H3/t17-/m1/s1.
What are the key properties of [(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 395.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 51696605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).