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

C22H22N4O4 — CID 68688037

IUPAC4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1
InChIInChI=1S/C22H22N4O4/c23-20(28)15-9-11-16(12-10-15)21-24-22(30-25-21)18-8-4-5-13-26(18)19(27)14-29-17-6-2-1-3-7-17/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H2,23,28)/t18-/m1/s1
InChIKeyUOXKYURYXQHCSW-GOSISDBHSA-N
MW406.44 g/mol
LogP2.97
Rot. Bonds6

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

4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 68688037) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID68688037
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1
InChIInChI=1S/C22H22N4O4/c23-20(28)15-9-11-16(12-10-15)21-24-22(30-25-21)18-8-4-5-13-26(18)19(27)14-29-17-6-2-1-3-7-17/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H2,23,28)/t18-/m1/s1
InChIKeyUOXKYURYXQHCSW-GOSISDBHSA-N
XLogP2.97
TPSA111.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of 4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide (CID 68688037) is 4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for 4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide is NC(=O)c1ccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1.
What is the InChIKey of 4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is UOXKYURYXQHCSW-GOSISDBHSA-N. The full InChI is InChI=1S/C22H22N4O4/c23-20(28)15-9-11-16(12-10-15)21-24-22(30-25-21)18-8-4-5-13-26(18)19(27)14-29-17-6-2-1-3-7-17/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H2,23,28)/t18-/m1/s1.
What are the key properties of 4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide?
4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 406.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 68688037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).