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

C15H28N4O — CID 62216530

IUPACN,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCN(CC)CCc1noc(CCC2CCNCC2)n1
InChIInChI=1S/C15H28N4O/c1-3-19(4-2)12-9-14-17-15(20-18-14)6-5-13-7-10-16-11-8-13/h13,16H,3-12H2,1-2H3
InChIKeyWHPLOIHRKSYGAB-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.89
Rot. Bonds8

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

N,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 62216530) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID62216530
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCN(CC)CCc1noc(CCC2CCNCC2)n1
InChIInChI=1S/C15H28N4O/c1-3-19(4-2)12-9-14-17-15(20-18-14)6-5-13-7-10-16-11-8-13/h13,16H,3-12H2,1-2H3
InChIKeyWHPLOIHRKSYGAB-UHFFFAOYSA-N
XLogP1.89
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 63871053
3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65130592
3-(methylsulfonylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62475251
5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 65134669
N-methyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride
CID 120841860
3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 103985671
5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 62216698
2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine
CID 43655469
3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62216870
5-(2-piperidin-4-ylethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 62502682
4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191511
N,N-diethyl-2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 63123708

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 62216530) is N,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine is CCN(CC)CCc1noc(CCC2CCNCC2)n1.
What is the InChIKey of N,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is WHPLOIHRKSYGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-3-19(4-2)12-9-14-17-15(20-18-14)6-5-13-7-10-16-11-8-13/h13,16H,3-12H2,1-2H3.
What are the key properties of N,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
N,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 280.42 g/mol, XLogP of 1.89, 8 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-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 62216530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).