1-[(2R)-2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenoxyethanone

C21H27N3O3 — CID 118738061

IUPAC1-[(2R)-2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(C2CCCCC2)n1
InChIInChI=1S/C21H27N3O3/c25-19(15-26-17-11-5-2-6-12-17)24-14-8-7-13-18(24)20-22-21(27-23-20)16-9-3-1-4-10-16/h2,5-6,11-12,16,18H,1,3-4,7-10,13-15H2/t18-/m1/s1
InChIKeyZNWQDUBLZSIJBM-GOSISDBHSA-N
MW369.46 g/mol
LogP4.25
Rot. Bonds5

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

1-[(2R)-2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenoxyethanone (PubChem CID 118738061) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is 1-[(2R)-2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenoxyethanone
PubChem CID118738061
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC Name1-[(2R)-2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(C2CCCCC2)n1
InChIInChI=1S/C21H27N3O3/c25-19(15-26-17-11-5-2-6-12-17)24-14-8-7-13-18(24)20-22-21(27-23-20)16-9-3-1-4-10-16/h2,5-6,11-12,16,18H,1,3-4,7-10,13-15H2/t18-/m1/s1
InChIKeyZNWQDUBLZSIJBM-GOSISDBHSA-N
XLogP4.25
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenoxyethanone (CID 118738061) is 1-[(2R)-2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(C2CCCCC2)n1.
What is the InChIKey of 1-[(2R)-2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is ZNWQDUBLZSIJBM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-19(15-26-17-11-5-2-6-12-17)24-14-8-7-13-18(24)20-22-21(27-23-20)16-9-3-1-4-10-16/h2,5-6,11-12,16,18H,1,3-4,7-10,13-15H2/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 369.46 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 118738061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).