2-cyclopropyl-5-[1-[2-(triazol-1-yl)ethyl]piperidin-4-yl]-1,3,4-oxadiazole

C14H20N6O — CID 163343885

IUPAC2-cyclopropyl-5-[1-[2-(triazol-1-yl)ethyl]piperidin-4-yl]-1,3,4-oxadiazole
SMILESc1cn(CCN2CCC(c3nnc(C4CC4)o3)CC2)nn1
InChIInChI=1S/C14H20N6O/c1-2-11(1)13-16-17-14(21-13)12-3-6-19(7-4-12)9-10-20-8-5-15-18-20/h5,8,11-12H,1-4,6-7,9-10H2
InChIKeyFXYXPIHMVCAQHA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.42
Rot. Bonds5

About 2-cyclopropyl-5-[1-[2-(triazol-1-yl)ethyl]piperidin-4-yl]-1,3,4-oxadiazole

2-cyclopropyl-5-[1-[2-(triazol-1-yl)ethyl]piperidin-4-yl]-1,3,4-oxadiazole (PubChem CID 163343885) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-cyclopropyl-5-[1-[2-(triazol-1-yl)ethyl]piperidin-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[1-[2-(triazol-1-yl)ethyl]piperidin-4-yl]-1,3,4-oxadiazole
PubChem CID163343885
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name2-cyclopropyl-5-[1-[2-(triazol-1-yl)ethyl]piperidin-4-yl]-1,3,4-oxadiazole
SMILESc1cn(CCN2CCC(c3nnc(C4CC4)o3)CC2)nn1
InChIInChI=1S/C14H20N6O/c1-2-11(1)13-16-17-14(21-13)12-3-6-19(7-4-12)9-10-20-8-5-15-18-20/h5,8,11-12H,1-4,6-7,9-10H2
InChIKeyFXYXPIHMVCAQHA-UHFFFAOYSA-N
XLogP1.42
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[1-[2-(triazol-1-yl)ethyl]piperidin-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[1-[2-(triazol-1-yl)ethyl]piperidin-4-yl]-1,3,4-oxadiazole (CID 163343885) is 2-cyclopropyl-5-[1-[2-(triazol-1-yl)ethyl]piperidin-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[1-[2-(triazol-1-yl)ethyl]piperidin-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[1-[2-(triazol-1-yl)ethyl]piperidin-4-yl]-1,3,4-oxadiazole is c1cn(CCN2CCC(c3nnc(C4CC4)o3)CC2)nn1.
What is the InChIKey of 2-cyclopropyl-5-[1-[2-(triazol-1-yl)ethyl]piperidin-4-yl]-1,3,4-oxadiazole?
The InChIKey is FXYXPIHMVCAQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-2-11(1)13-16-17-14(21-13)12-3-6-19(7-4-12)9-10-20-8-5-15-18-20/h5,8,11-12H,1-4,6-7,9-10H2.
What are the key properties of 2-cyclopropyl-5-[1-[2-(triazol-1-yl)ethyl]piperidin-4-yl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[1-[2-(triazol-1-yl)ethyl]piperidin-4-yl]-1,3,4-oxadiazole has a molecular weight of 288.35 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[1-[2-(triazol-1-yl)ethyl]piperidin-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 163343885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).