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

C16H28N4O — CID 47053786

IUPAC3-ethyl-5-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C16H28N4O/c1-3-15-17-16(21-18-15)13(2)19-11-7-14(8-12-19)20-9-5-4-6-10-20/h13-14H,3-12H2,1-2H3
InChIKeyJSMGQCJARAVZJK-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.64
Rot. Bonds4

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

3-ethyl-5-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 47053786) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-ethyl-5-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
PubChem CID47053786
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-ethyl-5-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C16H28N4O/c1-3-15-17-16(21-18-15)13(2)19-11-7-14(8-12-19)20-9-5-4-6-10-20/h13-14H,3-12H2,1-2H3
InChIKeyJSMGQCJARAVZJK-UHFFFAOYSA-N
XLogP2.64
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole (CID 47053786) is 3-ethyl-5-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole is CCc1noc(C(C)N2CCC(N3CCCCC3)CC2)n1.
What is the InChIKey of 3-ethyl-5-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is JSMGQCJARAVZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-15-17-16(21-18-15)13(2)19-11-7-14(8-12-19)20-9-5-4-6-10-20/h13-14H,3-12H2,1-2H3.
What are the key properties of 3-ethyl-5-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole?
3-ethyl-5-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 292.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 47053786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).