3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile

C22H20N4O3 — CID 68687297

IUPAC3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)c1
InChIInChI=1S/C22H20N4O3/c23-14-16-7-6-8-17(13-16)22-24-21(25-29-22)19-11-4-5-12-26(19)20(27)15-28-18-9-2-1-3-10-18/h1-3,6-10,13,19H,4-5,11-12,15H2/t19-/m1/s1
InChIKeyGMCFVLJVQVQSEW-LJQANCHMSA-N
MW388.43 g/mol
LogP3.74
Rot. Bonds5

About 3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile

3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile (PubChem CID 68687297) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile.

Molecular Properties

Compound Name3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
PubChem CID68687297
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)c1
InChIInChI=1S/C22H20N4O3/c23-14-16-7-6-8-17(13-16)22-24-21(25-29-22)19-11-4-5-12-26(19)20(27)15-28-18-9-2-1-3-10-18/h1-3,6-10,13,19H,4-5,11-12,15H2/t19-/m1/s1
InChIKeyGMCFVLJVQVQSEW-LJQANCHMSA-N
XLogP3.74
TPSA92.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The IUPAC name of 3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile (CID 68687297) is 3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile.
What is the SMILES notation for 3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The canonical SMILES for 3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile is N#Cc1cccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)c1.
What is the InChIKey of 3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The InChIKey is GMCFVLJVQVQSEW-LJQANCHMSA-N. The full InChI is InChI=1S/C22H20N4O3/c23-14-16-7-6-8-17(13-16)22-24-21(25-29-22)19-11-4-5-12-26(19)20(27)15-28-18-9-2-1-3-10-18/h1-3,6-10,13,19H,4-5,11-12,15H2/t19-/m1/s1.
What are the key properties of 3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile has a molecular weight of 388.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile is sourced from PubChem (CID 68687297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).