1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione

C15H19N3O3 — CID 54773622

IUPAC1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
SMILESCOc1cccc(N2C(=O)CC(N3CCNCC3)C2=O)c1
InChIInChI=1S/C15H19N3O3/c1-21-12-4-2-3-11(9-12)18-14(19)10-13(15(18)20)17-7-5-16-6-8-17/h2-4,9,13,16H,5-8,10H2,1H3
InChIKeyQFWUJKDSDVUFCV-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.23
Rot. Bonds3

About 1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione

1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione (PubChem CID 54773622) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
PubChem CID54773622
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
SMILESCOc1cccc(N2C(=O)CC(N3CCNCC3)C2=O)c1
InChIInChI=1S/C15H19N3O3/c1-21-12-4-2-3-11(9-12)18-14(19)10-13(15(18)20)17-7-5-16-6-8-17/h2-4,9,13,16H,5-8,10H2,1H3
InChIKeyQFWUJKDSDVUFCV-UHFFFAOYSA-N
XLogP0.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(3-methoxyphenyl)-3-[4-[(3S)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1035139
1-(3-fluorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
CID 54773613
(3R)-1-(4-methoxyphenyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1261246
(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51859533
(3R)-1-(4-chlorophenyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1261241
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 2952741
(3S)-1-(4-methoxyphenyl)-3-[4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1070802
3-[4-(1-benzoylpiperidin-4-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 5300778
1-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 2937059
(3S)-3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51531780
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 2853593
1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione (CID 54773622) is 1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione is COc1cccc(N2C(=O)CC(N3CCNCC3)C2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione?
The InChIKey is QFWUJKDSDVUFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-21-12-4-2-3-11(9-12)18-14(19)10-13(15(18)20)17-7-5-16-6-8-17/h2-4,9,13,16H,5-8,10H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione?
1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione has a molecular weight of 289.33 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 54773622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).