5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole

C11H17N3O — CID 115025293

IUPAC5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESCC1(c2nc(C3CCNCC3)no2)CC1
InChIInChI=1S/C11H17N3O/c1-11(4-5-11)10-13-9(14-15-10)8-2-6-12-7-3-8/h8,12H,2-7H2,1H3
InChIKeyQZGRIGXPDXKPSW-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.59
Rot. Bonds2

About 5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole

5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 115025293) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID115025293
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESCC1(c2nc(C3CCNCC3)no2)CC1
InChIInChI=1S/C11H17N3O/c1-11(4-5-11)10-13-9(14-15-10)8-2-6-12-7-3-8/h8,12H,2-7H2,1H3
InChIKeyQZGRIGXPDXKPSW-UHFFFAOYSA-N
XLogP1.59
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 80601729
5-(2-methylthiolan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 81451840
3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63126024
3-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 176759395
4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
CID 106950067
3-(4,4-dimethylcyclohexyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 65390962
3-(3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145192
5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 65330606
5-(1-methylcyclohexyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 106828730
3-(2,2-dimethylcyclopropyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 104880788
3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65329250
3-(2,3-dihydro-1H-inden-2-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 65413913

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole (CID 115025293) is 5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole is CC1(c2nc(C3CCNCC3)no2)CC1.
What is the InChIKey of 5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is QZGRIGXPDXKPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(4-5-11)10-13-9(14-15-10)8-2-6-12-7-3-8/h8,12H,2-7H2,1H3.
What are the key properties of 5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole?
5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 207.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 115025293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).