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

C22H22N4O4 — CID 68685919

IUPAC3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
SMILESNC(=O)c1cccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIInChI=1S/C22H22N4O4/c23-20(28)15-7-6-8-16(13-15)21-24-22(30-25-21)18-11-4-5-12-26(18)19(27)14-29-17-9-2-1-3-10-17/h1-3,6-10,13,18H,4-5,11-12,14H2,(H2,23,28)/t18-/m1/s1
InChIKeyRSKRURYFYUMARZ-GOSISDBHSA-N
MW406.44 g/mol
LogP2.97
Rot. Bonds6

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

3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 68685919) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID68685919
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
SMILESNC(=O)c1cccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIInChI=1S/C22H22N4O4/c23-20(28)15-7-6-8-16(13-15)21-24-22(30-25-21)18-11-4-5-12-26(18)19(27)14-29-17-9-2-1-3-10-17/h1-3,6-10,13,18H,4-5,11-12,14H2,(H2,23,28)/t18-/m1/s1
InChIKeyRSKRURYFYUMARZ-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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Related Compounds

N-isopropyl-3,5-dimethoxy-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
CID 2223954
N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}furan-2-carboxamide
CID 2990373
N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 6461363
1-[(3-Benzyl-1,2,4-oxadiazol-5-yl)methyl]-4-(2-furoyl)piperazine
CID 16189788
N-Isopropyl-N-((3-p-tolyl-1,2,4-oxadiazol-5-yl)methyl)-2-(p-tolyloxy)acetamide
CID 2215326
2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2987737
2-(4-ethylphenoxy)-N-isopropyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 2992442
2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide
CID 16475480
(R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone
CID 16736346
N-[(R)-2-(4-{3-[3-Fluoro-4-(5-phenyl-[1,2,4]oxadiazol-3-yl)-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-3-morpholin-4-yl-propionamide
CID 44373673
N-[(2R)-1-[4-[3-[3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 44373711
N-[(R)-2-(4-{3-[4-(5-Cyclopentylmethyl-[1,2,4]oxadiazol-3-yl)-3-fluoro-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-2-(4-methoxy-phenyl)-acetamide
CID 44373750

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of 3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide (CID 68685919) is 3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for 3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide is NC(=O)c1cccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1.
What is the InChIKey of 3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is RSKRURYFYUMARZ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H22N4O4/c23-20(28)15-7-6-8-16(13-15)21-24-22(30-25-21)18-11-4-5-12-26(18)19(27)14-29-17-9-2-1-3-10-17/h1-3,6-10,13,18H,4-5,11-12,14H2,(H2,23,28)/t18-/m1/s1.
What are the key properties of 3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide?
3-[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 3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 68685919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).