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

C21H20N4O5 — CID 68687376

IUPAC5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIInChI=1S/C21H20N4O5/c26-18(13-29-16-6-2-1-3-7-16)25-9-5-4-8-17(25)20-23-19(24-30-20)14-10-15(21(27)28)12-22-11-14/h1-3,6-7,10-12,17H,4-5,8-9,13H2,(H,27,28)/t17-/m1/s1
InChIKeyLWWZFJWKFAARAB-QGZVFWFLSA-N
MW408.41 g/mol
LogP2.96
Rot. Bonds6

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

5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid (PubChem CID 68687376) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid
PubChem CID68687376
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIInChI=1S/C21H20N4O5/c26-18(13-29-16-6-2-1-3-7-16)25-9-5-4-8-17(25)20-23-19(24-30-20)14-10-15(21(27)28)12-22-11-14/h1-3,6-7,10-12,17H,4-5,8-9,13H2,(H,27,28)/t17-/m1/s1
InChIKeyLWWZFJWKFAARAB-QGZVFWFLSA-N
XLogP2.96
TPSA118.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid (CID 68687376) is 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid is O=C(O)c1cncc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1.
What is the InChIKey of 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid?
The InChIKey is LWWZFJWKFAARAB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N4O5/c26-18(13-29-16-6-2-1-3-7-16)25-9-5-4-8-17(25)20-23-19(24-30-20)14-10-15(21(27)28)12-22-11-14/h1-3,6-7,10-12,17H,4-5,8-9,13H2,(H,27,28)/t17-/m1/s1.
What are the key properties of 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid?
5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid has a molecular weight of 408.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 68687376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).