2,5-Pyrrolidinedione, 1-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-

HCID 9949436

Notes Reactions

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Basic information

CAS: 255861-53-1
Standard SMILES: COc1ccccc1N1CCN(CCCN2C(=O)CCC2=O)CC1
InChIKey: XLPKXRVQNPNZRJ-UHFFFAOYSA-N
Molecular formula: C18H25N3O3
Average molar mass: 331.4 g/mol
Monoisotopic mass: 331.18959166

Names & identifiers

Preferred name: 2,5-Pyrrolidinedione, 1-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-
IUPAC: 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione

Names & synonyms

255861-53-12,5-Pyrrolidinedione, 1-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-SCHEMBL6866109DTXSID10433244XLPKXRVQNPNZRJ-UHFFFAOYSA-N1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[2,5-dioxopyrrolidin-1-yl]propane1-[4-(2-methoxyphenyl)piperazine-1-yl]-3-[2,5-dioxopyrrolidin-1-yl]propane1-{3-[4-(2-METHOXYPHENYL)PIPERAZIN-1-YL]PROPYL}PYRROLIDINE-2,5-DIONE

Database identifiers

CAS: 255861-53-1
PubChem CID: 9949436
DTXSID: DTXSID10433244

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 53.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 433

Related reactions

7 records

New reaction record

HRID 96281As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 2188249As productuspto-grants-2002_06

HRID 2229152As productuspto-grants-2002_07

HRID 2229801As productuspto-grants-2002_07

HRID 2287339As productuspto-grants-2000_07

HRID 2288595As productuspto-grants-2000_07

HRID 2414443As productuspto-grants-2004_11

Compound notes

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