1-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]pyrrolidine-2,5-dione

C19H25N3O3 — CID 11348477

IUPAC1-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1CCN(C/C=C/CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C19H25N3O3/c1-25-17-7-3-2-6-16(17)21-14-12-20(13-15-21)10-4-5-11-22-18(23)8-9-19(22)24/h2-7H,8-15H2,1H3/b5-4+
InChIKeyLPHGHPDNMQWAKP-SNAWJCMRSA-N
MW343.43 g/mol
LogP1.52
Rot. Bonds6

About 1-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]pyrrolidine-2,5-dione

1-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]pyrrolidine-2,5-dione (PubChem CID 11348477) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]pyrrolidine-2,5-dione
PubChem CID11348477
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1CCN(C/C=C/CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C19H25N3O3/c1-25-17-7-3-2-6-16(17)21-14-12-20(13-15-21)10-4-5-11-22-18(23)8-9-19(22)24/h2-7H,8-15H2,1H3/b5-4+
InChIKeyLPHGHPDNMQWAKP-SNAWJCMRSA-N
XLogP1.52
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]pyrrolidine-2,5-dione (CID 11348477) is 1-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]pyrrolidine-2,5-dione is COc1ccccc1N1CCN(C/C=C/CN2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]pyrrolidine-2,5-dione?
The InChIKey is LPHGHPDNMQWAKP-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-25-17-7-3-2-6-16(17)21-14-12-20(13-15-21)10-4-5-11-22-18(23)8-9-19(22)24/h2-7H,8-15H2,1H3/b5-4+.
What are the key properties of 1-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]pyrrolidine-2,5-dione?
1-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]pyrrolidine-2,5-dione has a molecular weight of 343.43 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 11348477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).