N,N-diethyl-2-[5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine

C15H28N4O — CID 63125943

IUPACN,N-diethyl-2-[5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCN(CC)CCc1noc(C2(CC)CCNCC2)n1
InChIInChI=1S/C15H28N4O/c1-4-15(8-10-16-11-9-15)14-17-13(18-20-14)7-12-19(5-2)6-3/h16H,4-12H2,1-3H3
InChIKeyCRQVOGZNHKEZTE-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.99
Rot. Bonds7

About N,N-diethyl-2-[5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine

N,N-diethyl-2-[5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 63125943) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N,N-diethyl-2-[5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID63125943
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN,N-diethyl-2-[5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCN(CC)CCc1noc(C2(CC)CCNCC2)n1
InChIInChI=1S/C15H28N4O/c1-4-15(8-10-16-11-9-15)14-17-13(18-20-14)7-12-19(5-2)6-3/h16H,4-12H2,1-3H3
InChIKeyCRQVOGZNHKEZTE-UHFFFAOYSA-N
XLogP1.99
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 63125943) is N,N-diethyl-2-[5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine is CCN(CC)CCc1noc(C2(CC)CCNCC2)n1.
What is the InChIKey of N,N-diethyl-2-[5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is CRQVOGZNHKEZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-15(8-10-16-11-9-15)14-17-13(18-20-14)7-12-19(5-2)6-3/h16H,4-12H2,1-3H3.
What are the key properties of N,N-diethyl-2-[5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
N,N-diethyl-2-[5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 280.42 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 63125943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).