1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione

C25H28N2O4 — CID 110561726

IUPAC1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCCOc1ccc(N2C(=O)C(c3ccccc3)=C(N3CCCCC3)C2=O)cc1OCC
InChIInChI=1S/C25H28N2O4/c1-3-30-20-14-13-19(17-21(20)31-4-2)27-24(28)22(18-11-7-5-8-12-18)23(25(27)29)26-15-9-6-10-16-26/h5,7-8,11-14,17H,3-4,6,9-10,15-16H2,1-2H3
InChIKeyRPPODODOTRCWIK-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.25
Rot. Bonds7

About 1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione

1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione (PubChem CID 110561726) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
PubChem CID110561726
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCCOc1ccc(N2C(=O)C(c3ccccc3)=C(N3CCCCC3)C2=O)cc1OCC
InChIInChI=1S/C25H28N2O4/c1-3-30-20-14-13-19(17-21(20)31-4-2)27-24(28)22(18-11-7-5-8-12-18)23(25(27)29)26-15-9-6-10-16-26/h5,7-8,11-14,17H,3-4,6,9-10,15-16H2,1-2H3
InChIKeyRPPODODOTRCWIK-UHFFFAOYSA-N
XLogP4.25
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione (CID 110561726) is 1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione is CCOc1ccc(N2C(=O)C(c3ccccc3)=C(N3CCCCC3)C2=O)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione?
The InChIKey is RPPODODOTRCWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-3-30-20-14-13-19(17-21(20)31-4-2)27-24(28)22(18-11-7-5-8-12-18)23(25(27)29)26-15-9-6-10-16-26/h5,7-8,11-14,17H,3-4,6,9-10,15-16H2,1-2H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione?
1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione has a molecular weight of 420.51 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110561726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).