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

C22H22FN3O3 — CID 91906475

IUPAC(3-fluoro-4-methoxyphenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Cc3nc(-c4ccccc4)no3)CC2)cc1F
InChIInChI=1S/C22H22FN3O3/c1-28-19-8-7-17(14-18(19)23)22(27)26-11-9-15(10-12-26)13-20-24-21(25-29-20)16-5-3-2-4-6-16/h2-8,14-15H,9-13H2,1H3
InChIKeyGHWZCIIBEYHBJY-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.98
Rot. Bonds5

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

(3-fluoro-4-methoxyphenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 91906475) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID91906475
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name(3-fluoro-4-methoxyphenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Cc3nc(-c4ccccc4)no3)CC2)cc1F
InChIInChI=1S/C22H22FN3O3/c1-28-19-8-7-17(14-18(19)23)22(27)26-11-9-15(10-12-26)13-20-24-21(25-29-20)16-5-3-2-4-6-16/h2-8,14-15H,9-13H2,1H3
InChIKeyGHWZCIIBEYHBJY-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 91906475) is (3-fluoro-4-methoxyphenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(Cc3nc(-c4ccccc4)no3)CC2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is GHWZCIIBEYHBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-28-19-8-7-17(14-18(19)23)22(27)26-11-9-15(10-12-26)13-20-24-21(25-29-20)16-5-3-2-4-6-16/h2-8,14-15H,9-13H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
(3-fluoro-4-methoxyphenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 395.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91906475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).