1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone

C23H34N6O2 — CID 86895208

IUPAC1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
SMILESCCc1noc(C(C)N2CCN(CC(=O)N3CCN(Cc4ccccc4)CC3)CC2)n1
InChIInChI=1S/C23H34N6O2/c1-3-21-24-23(31-25-21)19(2)28-13-9-27(10-14-28)18-22(30)29-15-11-26(12-16-29)17-20-7-5-4-6-8-20/h4-8,19H,3,9-18H2,1-2H3
InChIKeyJWUPKFQXVULESN-UHFFFAOYSA-N
MW426.57 g/mol
LogP1.65
Rot. Bonds7

About 1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone

1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 86895208) has the molecular formula C23H34N6O2 and a molecular weight of 426.57 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID86895208
Molecular FormulaC23H34N6O2
Molecular Weight426.57 g/mol
Exact Mass426.27
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
SMILESCCc1noc(C(C)N2CCN(CC(=O)N3CCN(Cc4ccccc4)CC3)CC2)n1
InChIInChI=1S/C23H34N6O2/c1-3-21-24-23(31-25-21)19(2)28-13-9-27(10-14-28)18-22(30)29-15-11-26(12-16-29)17-20-7-5-4-6-8-20/h4-8,19H,3,9-18H2,1-2H3
InChIKeyJWUPKFQXVULESN-UHFFFAOYSA-N
XLogP1.65
TPSA68.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 94799308
(2R)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 97191698
1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 94815780
2-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 95282589
2-benzyl-5-[[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 86895225
2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 119880668
2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55432670
3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 56684956
3-ethyl-5-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 134052552
[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 42955070
(1S)-2-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-phenylethanol
CID 95315467
4-[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperazine-1-carboxamide
CID 94172116

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone (CID 86895208) is 1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone is CCc1noc(C(C)N2CCN(CC(=O)N3CCN(Cc4ccccc4)CC3)CC2)n1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is JWUPKFQXVULESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O2/c1-3-21-24-23(31-25-21)19(2)28-13-9-27(10-14-28)18-22(30)29-15-11-26(12-16-29)17-20-7-5-4-6-8-20/h4-8,19H,3,9-18H2,1-2H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone?
1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 426.57 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 86895208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).