3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione

C19H23N3O5 — CID 72924241

IUPAC3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCC(=O)c1ccc(N2CCN(C(=O)CN3C(=O)OC(C)(C)C3=O)CC2)cc1
InChIInChI=1S/C19H23N3O5/c1-13(23)14-4-6-15(7-5-14)20-8-10-21(11-9-20)16(24)12-22-17(25)19(2,3)27-18(22)26/h4-7H,8-12H2,1-3H3
InChIKeyBLVGATHIJHFRKE-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.30
Rot. Bonds4

About 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione

3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione (PubChem CID 72924241) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
PubChem CID72924241
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCC(=O)c1ccc(N2CCN(C(=O)CN3C(=O)OC(C)(C)C3=O)CC2)cc1
InChIInChI=1S/C19H23N3O5/c1-13(23)14-4-6-15(7-5-14)20-8-10-21(11-9-20)16(24)12-22-17(25)19(2,3)27-18(22)26/h4-7H,8-12H2,1-3H3
InChIKeyBLVGATHIJHFRKE-UHFFFAOYSA-N
XLogP1.30
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-3,3,5-trimethylindol-2-one
CID 53057472
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-bromoethanone
CID 63681378
methyl 3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropanoate
CID 134069467
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone
CID 143404062
1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one
CID 61252118
5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione
CID 31134282
3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 9303406
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 57442577
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442402
5,5-dimethyl-3-[2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidine-2,4-dione
CID 72848064
5,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione
CID 72933399

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione (CID 72924241) is 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione is CC(=O)c1ccc(N2CCN(C(=O)CN3C(=O)OC(C)(C)C3=O)CC2)cc1.
What is the InChIKey of 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The InChIKey is BLVGATHIJHFRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-13(23)14-4-6-15(7-5-14)20-8-10-21(11-9-20)16(24)12-22-17(25)19(2,3)27-18(22)26/h4-7H,8-12H2,1-3H3.
What are the key properties of 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione has a molecular weight of 373.41 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 72924241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).