3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one

C22H22N4O4 — CID 9303406

IUPAC3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)Cn3nc(-c4ccccc4)oc3=O)CC2)cc1
InChIInChI=1S/C22H22N4O4/c1-16(27)17-7-9-19(10-8-17)24-11-13-25(14-12-24)20(28)15-26-22(29)30-21(23-26)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3
InChIKeyXSTGBNZEZUZDGS-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.05
Rot. Bonds5

About 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one

3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one (PubChem CID 9303406) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
PubChem CID9303406
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)Cn3nc(-c4ccccc4)oc3=O)CC2)cc1
InChIInChI=1S/C22H22N4O4/c1-16(27)17-7-9-19(10-8-17)24-11-13-25(14-12-24)20(28)15-26-22(29)30-21(23-26)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3
InChIKeyXSTGBNZEZUZDGS-UHFFFAOYSA-N
XLogP2.05
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 46448814
3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 95337351
5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-one
CID 9255444
3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 9271136
3-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 46665106
[2-(azocan-1-yl)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8632865
2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 121050347
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
2-(N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid
CID 25220079
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-bromoethanone
CID 63681378
2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-ethoxyphenyl)pyridazin-3-one
CID 121050506
3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 72924241

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one (CID 9303406) is 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one is CC(=O)c1ccc(N2CCN(C(=O)Cn3nc(-c4ccccc4)oc3=O)CC2)cc1.
What is the InChIKey of 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The InChIKey is XSTGBNZEZUZDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-16(27)17-7-9-19(10-8-17)24-11-13-25(14-12-24)20(28)15-26-22(29)30-21(23-26)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3.
What are the key properties of 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one?
3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one has a molecular weight of 406.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 9303406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).