1'-(5-ethyl-1,3,4-oxadiazol-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C17H21N3O2 — CID 72841342

IUPAC1'-(5-ethyl-1,3,4-oxadiazol-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCCc1nnc(N2CCC3(CC2)c2ccccc2CC3O)o1
InChIInChI=1S/C17H21N3O2/c1-2-15-18-19-16(22-15)20-9-7-17(8-10-20)13-6-4-3-5-12(13)11-14(17)21/h3-6,14,21H,2,7-11H2,1H3
InChIKeyHFRKWUPRXAZPLS-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.09
Rot. Bonds2

About 1'-(5-ethyl-1,3,4-oxadiazol-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

1'-(5-ethyl-1,3,4-oxadiazol-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 72841342) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1'-(5-ethyl-1,3,4-oxadiazol-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name1'-(5-ethyl-1,3,4-oxadiazol-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID72841342
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1'-(5-ethyl-1,3,4-oxadiazol-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCCc1nnc(N2CCC3(CC2)c2ccccc2CC3O)o1
InChIInChI=1S/C17H21N3O2/c1-2-15-18-19-16(22-15)20-9-7-17(8-10-20)13-6-4-3-5-12(13)11-14(17)21/h3-6,14,21H,2,7-11H2,1H3
InChIKeyHFRKWUPRXAZPLS-UHFFFAOYSA-N
XLogP2.09
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(5-ethyl-1,3,4-oxadiazol-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of 1'-(5-ethyl-1,3,4-oxadiazol-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 72841342) is 1'-(5-ethyl-1,3,4-oxadiazol-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for 1'-(5-ethyl-1,3,4-oxadiazol-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for 1'-(5-ethyl-1,3,4-oxadiazol-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is CCc1nnc(N2CCC3(CC2)c2ccccc2CC3O)o1.
What is the InChIKey of 1'-(5-ethyl-1,3,4-oxadiazol-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is HFRKWUPRXAZPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-15-18-19-16(22-15)20-9-7-17(8-10-20)13-6-4-3-5-12(13)11-14(17)21/h3-6,14,21H,2,7-11H2,1H3.
What are the key properties of 1'-(5-ethyl-1,3,4-oxadiazol-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
1'-(5-ethyl-1,3,4-oxadiazol-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 299.37 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-ethyl-1,3,4-oxadiazol-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 72841342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).