1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione

C22H23N3O4 — CID 9335620

IUPAC1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1CCN(C(=O)c2cccc(N3C(=O)CCC3=O)c2)CC1
InChIInChI=1S/C22H23N3O4/c1-29-19-8-3-2-7-18(19)23-11-13-24(14-12-23)22(28)16-5-4-6-17(15-16)25-20(26)9-10-21(25)27/h2-8,15H,9-14H2,1H3
InChIKeyWBPRRPXUXSZHEA-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.31
Rot. Bonds4

About 1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione

1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione (PubChem CID 9335620) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
PubChem CID9335620
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1CCN(C(=O)c2cccc(N3C(=O)CCC3=O)c2)CC1
InChIInChI=1S/C22H23N3O4/c1-29-19-8-3-2-7-18(19)23-11-13-24(14-12-23)22(28)16-5-4-6-17(15-16)25-20(26)9-10-21(25)27/h2-8,15H,9-14H2,1H3
InChIKeyWBPRRPXUXSZHEA-UHFFFAOYSA-N
XLogP2.31
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9153319
(1R,2R,6S,7R)-4-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98141420
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 26534443
1-[[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 9034189
(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113199237
2,3-dihydro-1H-inden-5-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9118183
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one
CID 91954902
[3-(2-methoxyanilino)sulfanylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 146231616
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 46054196
(3,5-dichloro-4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9034132
[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372121

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione (CID 9335620) is 1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione is COc1ccccc1N1CCN(C(=O)c2cccc(N3C(=O)CCC3=O)c2)CC1.
What is the InChIKey of 1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione?
The InChIKey is WBPRRPXUXSZHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-29-19-8-3-2-7-18(19)23-11-13-24(14-12-23)22(28)16-5-4-6-17(15-16)25-20(26)9-10-21(25)27/h2-8,15H,9-14H2,1H3.
What are the key properties of 1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione?
1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione has a molecular weight of 393.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 9335620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).