1-(4-ethoxyphenyl)-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione

C28H28N4O4 — CID 2984340

IUPAC1-(4-ethoxyphenyl)-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(N3CCN(c4ccc(C(=O)c5ccncc5)cc4)CC3)C2=O)cc1
InChIInChI=1S/C28H28N4O4/c1-2-36-24-9-7-23(8-10-24)32-26(33)19-25(28(32)35)31-17-15-30(16-18-31)22-5-3-20(4-6-22)27(34)21-11-13-29-14-12-21/h3-14,25H,2,15-19H2,1H3
InChIKeyHBPCFRKQHNSSGC-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.17
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione

1-(4-ethoxyphenyl)-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2984340) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID2984340
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name1-(4-ethoxyphenyl)-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(N3CCN(c4ccc(C(=O)c5ccncc5)cc4)CC3)C2=O)cc1
InChIInChI=1S/C28H28N4O4/c1-2-36-24-9-7-23(8-10-24)32-26(33)19-25(28(32)35)31-17-15-30(16-18-31)22-5-3-20(4-6-22)27(34)21-11-13-29-14-12-21/h3-14,25H,2,15-19H2,1H3
InChIKeyHBPCFRKQHNSSGC-UHFFFAOYSA-N
XLogP3.17
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione (CID 2984340) is 1-(4-ethoxyphenyl)-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)CC(N3CCN(c4ccc(C(=O)c5ccncc5)cc4)CC3)C2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is HBPCFRKQHNSSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-2-36-24-9-7-23(8-10-24)32-26(33)19-25(28(32)35)31-17-15-30(16-18-31)22-5-3-20(4-6-22)27(34)21-11-13-29-14-12-21/h3-14,25H,2,15-19H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
1-(4-ethoxyphenyl)-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 484.56 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2984340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).