1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidine-2,5-dione

C18H23N3O3 — CID 110723679

IUPAC1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCc1cccc(CC(=O)N2CCN(C3CC(=O)N(C)C3=O)CC2)c1
InChIInChI=1S/C18H23N3O3/c1-13-4-3-5-14(10-13)11-17(23)21-8-6-20(7-9-21)15-12-16(22)19(2)18(15)24/h3-5,10,15H,6-9,11-12H2,1-2H3
InChIKeyLQCMMOFMGZLVAS-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.44
Rot. Bonds3

About 1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidine-2,5-dione

1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 110723679) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID110723679
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCc1cccc(CC(=O)N2CCN(C3CC(=O)N(C)C3=O)CC2)c1
InChIInChI=1S/C18H23N3O3/c1-13-4-3-5-14(10-13)11-17(23)21-8-6-20(7-9-21)15-12-16(22)19(2)18(15)24/h3-5,10,15H,6-9,11-12H2,1-2H3
InChIKeyLQCMMOFMGZLVAS-UHFFFAOYSA-N
XLogP0.44
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 110723652
1-(2-methoxyethyl)-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidin-2-one
CID 91925735
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 6469987
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817960
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 66291636
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818154
1-(4-benzylsulfonylpiperazin-1-yl)-2-(3-methylphenyl)ethanone
CID 110818901
2-(3-methylphenyl)-1-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanone
CID 167903948

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidine-2,5-dione (CID 110723679) is 1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidine-2,5-dione is Cc1cccc(CC(=O)N2CCN(C3CC(=O)N(C)C3=O)CC2)c1.
What is the InChIKey of 1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is LQCMMOFMGZLVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-4-3-5-14(10-13)11-17(23)21-8-6-20(7-9-21)15-12-16(22)19(2)18(15)24/h3-5,10,15H,6-9,11-12H2,1-2H3.
What are the key properties of 1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidine-2,5-dione?
1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 329.40 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 110723679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).