4-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)benzonitrile

C22H19N3O2 — CID 110561903

IUPAC4-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)benzonitrile
SMILESN#Cc1ccc(N2C(=O)C(c3ccccc3)=C(N3CCCCC3)C2=O)cc1
InChIInChI=1S/C22H19N3O2/c23-15-16-9-11-18(12-10-16)25-21(26)19(17-7-3-1-4-8-17)20(22(25)27)24-13-5-2-6-14-24/h1,3-4,7-12H,2,5-6,13-14H2
InChIKeyROWYRWVITHNZEU-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.33
Rot. Bonds3

About 4-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)benzonitrile

4-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)benzonitrile (PubChem CID 110561903) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)benzonitrile
PubChem CID110561903
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name4-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)benzonitrile
SMILESN#Cc1ccc(N2C(=O)C(c3ccccc3)=C(N3CCCCC3)C2=O)cc1
InChIInChI=1S/C22H19N3O2/c23-15-16-9-11-18(12-10-16)25-21(26)19(17-7-3-1-4-8-17)20(22(25)27)24-13-5-2-6-14-24/h1,3-4,7-12H,2,5-6,13-14H2
InChIKeyROWYRWVITHNZEU-UHFFFAOYSA-N
XLogP3.33
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 22728644
4-[3-(4-ethoxyphenyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-1-yl]benzonitrile
CID 110547979
4-[2,5-dioxo-3-(4-propoxyphenyl)-4-pyrrolidin-1-ylpyrrol-1-yl]benzonitrile
CID 110577687
4-[3-[4-(2-methylpropoxy)phenyl]-2,5-dioxo-4-pyrrolidin-1-ylpyrrol-1-yl]benzonitrile
CID 110551873
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-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110558417
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
4-[3-(4-methylpiperidin-1-yl)-4-(4-nitrophenyl)-2,5-dioxopyrrol-1-yl]benzonitrile
CID 110542694
1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110561726
1-(4-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110560474

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)benzonitrile?
The IUPAC name of 4-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)benzonitrile (CID 110561903) is 4-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)benzonitrile.
What is the SMILES notation for 4-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)benzonitrile?
The canonical SMILES for 4-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)benzonitrile is N#Cc1ccc(N2C(=O)C(c3ccccc3)=C(N3CCCCC3)C2=O)cc1.
What is the InChIKey of 4-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)benzonitrile?
The InChIKey is ROWYRWVITHNZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c23-15-16-9-11-18(12-10-16)25-21(26)19(17-7-3-1-4-8-17)20(22(25)27)24-13-5-2-6-14-24/h1,3-4,7-12H,2,5-6,13-14H2.
What are the key properties of 4-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)benzonitrile?
4-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)benzonitrile has a molecular weight of 357.41 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)benzonitrile is sourced from PubChem (CID 110561903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).