3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione

C24H25N3O6 — CID 17337092

IUPAC3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1C(=O)CC(N2CCN(C(=O)C3COc4ccccc4O3)CC2)C1=O
InChIInChI=1S/C24H25N3O6/c1-31-18-7-3-2-6-16(18)27-22(28)14-17(23(27)29)25-10-12-26(13-11-25)24(30)21-15-32-19-8-4-5-9-20(19)33-21/h2-9,17,21H,10-15H2,1H3
InChIKeyRLSVSUMBHNGLJP-UHFFFAOYSA-N
MW451.48 g/mol
LogP1.31
Rot. Bonds4

About 3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione

3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 17337092) has the molecular formula C24H25N3O6 and a molecular weight of 451.48 g/mol. Its IUPAC name is 3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID17337092
Molecular FormulaC24H25N3O6
Molecular Weight451.48 g/mol
Exact Mass451.17
IUPAC Name3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1C(=O)CC(N2CCN(C(=O)C3COc4ccccc4O3)CC2)C1=O
InChIInChI=1S/C24H25N3O6/c1-31-18-7-3-2-6-16(18)27-22(28)14-17(23(27)29)25-10-12-26(13-11-25)24(30)21-15-32-19-8-4-5-9-20(19)33-21/h2-9,17,21H,10-15H2,1H3
InChIKeyRLSVSUMBHNGLJP-UHFFFAOYSA-N
XLogP1.31
TPSA88.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione 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

(3S)-3-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 124526183
1-(2-methoxyphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 13220404
1-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 16583901
(3S)-1-(2-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1087567
4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 17322150
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111062
(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 2126419
methyl 2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]benzoate
CID 131740216
1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 42903660
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778831
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778829
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3147861

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione (CID 17337092) is 3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione is COc1ccccc1N1C(=O)CC(N2CCN(C(=O)C3COc4ccccc4O3)CC2)C1=O.
What is the InChIKey of 3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is RLSVSUMBHNGLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6/c1-31-18-7-3-2-6-16(18)27-22(28)14-17(23(27)29)25-10-12-26(13-11-25)24(30)21-15-32-19-8-4-5-9-20(19)33-21/h2-9,17,21H,10-15H2,1H3.
What are the key properties of 3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione?
3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 451.48 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 17337092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).