2-[2-[2-(3-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione

C21H19N3O4 — CID 110657548

IUPAC2-[2-[2-(3-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESCc1cccc(C2C(=O)NCCN2C(=O)CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C21H19N3O4/c1-13-5-4-6-14(11-13)18-19(26)22-9-10-23(18)17(25)12-24-20(27)15-7-2-3-8-16(15)21(24)28/h2-8,11,18H,9-10,12H2,1H3,(H,22,26)
InChIKeyQYTMJPVMBVEGPO-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.29
Rot. Bonds3

About 2-[2-[2-(3-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione

2-[2-[2-(3-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione (PubChem CID 110657548) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[2-[2-(3-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-(3-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
PubChem CID110657548
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name2-[2-[2-(3-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESCc1cccc(C2C(=O)NCCN2C(=O)CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C21H19N3O4/c1-13-5-4-6-14(11-13)18-19(26)22-9-10-23(18)17(25)12-24-20(27)15-7-2-3-8-16(15)21(24)28/h2-8,11,18H,9-10,12H2,1H3,(H,22,26)
InChIKeyQYTMJPVMBVEGPO-UHFFFAOYSA-N
XLogP1.29
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylphenyl)-4-(morpholine-4-carbonyl)piperazin-2-one
CID 110657586
N,N-dimethyl-4-[2-(3-methylphenyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide
CID 110657549
2-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione
CID 120802910
4-(3,3-dimethylbutanoyl)-3-(4-methylphenyl)piperazin-2-one
CID 110644711
3-(3-fluorophenyl)-4-[2-(2-phenylimidazol-1-yl)acetyl]piperazin-2-one
CID 72862229
3-(3-methylphenyl)-4-methylsulfonylpiperazin-2-one
CID 110657603
5-[[2-(3-methylphenyl)-3-oxopiperazin-1-yl]methyl]thiophene-2-carboxylic acid
CID 154743058
4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728500
2-[2-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110638923
4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one
CID 110420024
2-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride
CID 120739215
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728495

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-(3-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione (CID 110657548) is 2-[2-[2-(3-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-(3-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-(3-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione is Cc1cccc(C2C(=O)NCCN2C(=O)CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[2-[2-(3-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is QYTMJPVMBVEGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-13-5-4-6-14(11-13)18-19(26)22-9-10-23(18)17(25)12-24-20(27)15-7-2-3-8-16(15)21(24)28/h2-8,11,18H,9-10,12H2,1H3,(H,22,26).
What are the key properties of 2-[2-[2-(3-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
2-[2-[2-(3-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 377.40 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 110657548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).