3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole

C11H17N3O2 — CID 145380353

IUPAC3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole
SMILESCOC1CCN(c2nc(C3CC3)no2)CC1
InChIInChI=1S/C11H17N3O2/c1-15-9-4-6-14(7-5-9)11-12-10(13-16-11)8-2-3-8/h8-9H,2-7H2,1H3
InChIKeySHDBBMVYJVIIJL-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.56
Rot. Bonds3

About 3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole

3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole (PubChem CID 145380353) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole
PubChem CID145380353
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole
SMILESCOC1CCN(c2nc(C3CC3)no2)CC1
InChIInChI=1S/C11H17N3O2/c1-15-9-4-6-14(7-5-9)11-12-10(13-16-11)8-2-3-8/h8-9H,2-7H2,1H3
InChIKeySHDBBMVYJVIIJL-UHFFFAOYSA-N
XLogP1.56
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole (CID 145380353) is 3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole is COC1CCN(c2nc(C3CC3)no2)CC1.
What is the InChIKey of 3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole?
The InChIKey is SHDBBMVYJVIIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-15-9-4-6-14(7-5-9)11-12-10(13-16-11)8-2-3-8/h8-9H,2-7H2,1H3.
What are the key properties of 3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole?
3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole has a molecular weight of 223.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(4-methoxypiperidin-1-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 145380353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).