[3-(4-ethylphenyl)piperazin-1-yl]-[3-(1,3,4-oxadiazol-2-yl)phenyl]methanone

C21H22N4O2 — CID 166180432

IUPAC[3-(4-ethylphenyl)piperazin-1-yl]-[3-(1,3,4-oxadiazol-2-yl)phenyl]methanone
SMILESCCc1ccc(C2CN(C(=O)c3cccc(-c4nnco4)c3)CCN2)cc1
InChIInChI=1S/C21H22N4O2/c1-2-15-6-8-16(9-7-15)19-13-25(11-10-22-19)21(26)18-5-3-4-17(12-18)20-24-23-14-27-20/h3-9,12,14,19,22H,2,10-11,13H2,1H3
InChIKeyNGYXASNYVANSDD-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.09
Rot. Bonds4

About [3-(4-ethylphenyl)piperazin-1-yl]-[3-(1,3,4-oxadiazol-2-yl)phenyl]methanone

[3-(4-ethylphenyl)piperazin-1-yl]-[3-(1,3,4-oxadiazol-2-yl)phenyl]methanone (PubChem CID 166180432) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [3-(4-ethylphenyl)piperazin-1-yl]-[3-(1,3,4-oxadiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-(4-ethylphenyl)piperazin-1-yl]-[3-(1,3,4-oxadiazol-2-yl)phenyl]methanone
PubChem CID166180432
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[3-(4-ethylphenyl)piperazin-1-yl]-[3-(1,3,4-oxadiazol-2-yl)phenyl]methanone
SMILESCCc1ccc(C2CN(C(=O)c3cccc(-c4nnco4)c3)CCN2)cc1
InChIInChI=1S/C21H22N4O2/c1-2-15-6-8-16(9-7-15)19-13-25(11-10-22-19)21(26)18-5-3-4-17(12-18)20-24-23-14-27-20/h3-9,12,14,19,22H,2,10-11,13H2,1H3
InChIKeyNGYXASNYVANSDD-UHFFFAOYSA-N
XLogP3.09
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-ethylphenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 119051627
phenyl-(3-phenylpiperazin-1-yl)methanone
CID 82246904
[3-(3-hydroxy-3-methylbutyl)phenyl]-(3-phenylpiperazin-1-yl)methanone
CID 70742075
(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426419
(3-phenylpiperazin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone
CID 74230944
(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone
CID 72886763
[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone
CID 97436355
(3-ethyl-2-pyridinyl)-[3-(4-fluorophenyl)piperazin-1-yl]methanone
CID 155954977
(3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426598
[(3R)-3-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 18664719
(3-ethylpiperazin-1-yl)-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methanone
CID 119058466
(3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82246689

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylphenyl)piperazin-1-yl]-[3-(1,3,4-oxadiazol-2-yl)phenyl]methanone?
The IUPAC name of [3-(4-ethylphenyl)piperazin-1-yl]-[3-(1,3,4-oxadiazol-2-yl)phenyl]methanone (CID 166180432) is [3-(4-ethylphenyl)piperazin-1-yl]-[3-(1,3,4-oxadiazol-2-yl)phenyl]methanone.
What is the SMILES notation for [3-(4-ethylphenyl)piperazin-1-yl]-[3-(1,3,4-oxadiazol-2-yl)phenyl]methanone?
The canonical SMILES for [3-(4-ethylphenyl)piperazin-1-yl]-[3-(1,3,4-oxadiazol-2-yl)phenyl]methanone is CCc1ccc(C2CN(C(=O)c3cccc(-c4nnco4)c3)CCN2)cc1.
What is the InChIKey of [3-(4-ethylphenyl)piperazin-1-yl]-[3-(1,3,4-oxadiazol-2-yl)phenyl]methanone?
The InChIKey is NGYXASNYVANSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-15-6-8-16(9-7-15)19-13-25(11-10-22-19)21(26)18-5-3-4-17(12-18)20-24-23-14-27-20/h3-9,12,14,19,22H,2,10-11,13H2,1H3.
What are the key properties of [3-(4-ethylphenyl)piperazin-1-yl]-[3-(1,3,4-oxadiazol-2-yl)phenyl]methanone?
[3-(4-ethylphenyl)piperazin-1-yl]-[3-(1,3,4-oxadiazol-2-yl)phenyl]methanone has a molecular weight of 362.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylphenyl)piperazin-1-yl]-[3-(1,3,4-oxadiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 166180432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).