N-ethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine

C11H20N4O — CID 106408371

IUPACN-ethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
SMILESCCNC1CCCN(CCc2ncno2)C1
InChIInChI=1S/C11H20N4O/c1-2-12-10-4-3-6-15(8-10)7-5-11-13-9-14-16-11/h9-10,12H,2-8H2,1H3
InChIKeyARSOHUCWDXRQJV-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.69
Rot. Bonds5

About N-ethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine

N-ethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine (PubChem CID 106408371) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-ethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
PubChem CID106408371
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-ethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
SMILESCCNC1CCCN(CCc2ncno2)C1
InChIInChI=1S/C11H20N4O/c1-2-12-10-4-3-6-15(8-10)7-5-11-13-9-14-16-11/h9-10,12H,2-8H2,1H3
InChIKeyARSOHUCWDXRQJV-UHFFFAOYSA-N
XLogP0.69
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine?
The IUPAC name of N-ethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine (CID 106408371) is N-ethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine.
What is the SMILES notation for N-ethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine?
The canonical SMILES for N-ethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine is CCNC1CCCN(CCc2ncno2)C1.
What is the InChIKey of N-ethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine?
The InChIKey is ARSOHUCWDXRQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-12-10-4-3-6-15(8-10)7-5-11-13-9-14-16-11/h9-10,12H,2-8H2,1H3.
What are the key properties of N-ethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine?
N-ethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine has a molecular weight of 224.31 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine is sourced from PubChem (CID 106408371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).