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

C18H25N3O — CID 75805432

IUPAC5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C18H25N3O/c1-3-17-19-18(22-20-17)14(2)21-11-9-16(10-12-21)13-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3
InChIKeyKNDHGEREYSTIRJ-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.65
Rot. Bonds5

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

5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole (PubChem CID 75805432) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole
PubChem CID75805432
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C18H25N3O/c1-3-17-19-18(22-20-17)14(2)21-11-9-16(10-12-21)13-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3
InChIKeyKNDHGEREYSTIRJ-UHFFFAOYSA-N
XLogP3.65
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 94405866
1-[5-[1-(4-benzylpiperidin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863041
(2R)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 97191698
(3S)-1-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-phenylpyrrolidin-3-amine
CID 52872567
1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile
CID 48939790
3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 56684956
2-benzyl-5-[[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 86895225
(1S)-2-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-phenylethanol
CID 95315467
[1-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 51080710
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
(2S)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylpropan-2-ol
CID 95299369
1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 86895208

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole (CID 75805432) is 5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole is CCc1noc(C(C)N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole?
The InChIKey is KNDHGEREYSTIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-3-17-19-18(22-20-17)14(2)21-11-9-16(10-12-21)13-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3.
What are the key properties of 5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole?
5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole has a molecular weight of 299.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 75805432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).