1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione

C21H20N2O2 — CID 22728644

IUPAC1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(N2CCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C21H20N2O2/c24-20-18(16-10-4-1-5-11-16)19(22-14-8-3-9-15-22)21(25)23(20)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKeyNQUBOBOVDOFMIJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.46
Rot. Bonds3

About 1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione

1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione (PubChem CID 22728644) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione
PubChem CID22728644
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(N2CCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C21H20N2O2/c24-20-18(16-10-4-1-5-11-16)19(22-14-8-3-9-15-22)21(25)23(20)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKeyNQUBOBOVDOFMIJ-UHFFFAOYSA-N
XLogP3.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)benzonitrile
CID 110561903
3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110557556
1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-2,5-dione
CID 138976955
1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110558417
3-phenyl-1-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110561432
3-(4-ethylpiperazin-1-yl)-4-phenyl-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110558664
1-(3-ethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110558487
3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110558320
3-chloro-1-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 779239
1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110544646
1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110561726
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,4-diphenylpyrrole-2,5-dione
CID 110561095

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione (CID 22728644) is 1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione is O=C1C(c2ccccc2)=C(N2CCCCC2)C(=O)N1c1ccccc1.
What is the InChIKey of 1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione?
The InChIKey is NQUBOBOVDOFMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-20-18(16-10-4-1-5-11-16)19(22-14-8-3-9-15-22)21(25)23(20)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2.
What are the key properties of 1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione?
1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione has a molecular weight of 332.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 22728644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).