N-[4-[1-[3-(dimethylamino)phenyl]-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide

C25H28N4O3 — CID 110563703

IUPACN-[4-[1-[3-(dimethylamino)phenyl]-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(N3CCCCC3)C(=O)N(c3cccc(N(C)C)c3)C2=O)cc1
InChIInChI=1S/C25H28N4O3/c1-17(30)26-19-12-10-18(11-13-19)22-23(28-14-5-4-6-15-28)25(32)29(24(22)31)21-9-7-8-20(16-21)27(2)3/h7-13,16H,4-6,14-15H2,1-3H3,(H,26,30)
InChIKeyFZLAQCUAGNADFQ-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.48
Rot. Bonds5

About N-[4-[1-[3-(dimethylamino)phenyl]-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide

N-[4-[1-[3-(dimethylamino)phenyl]-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide (PubChem CID 110563703) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[4-[1-[3-(dimethylamino)phenyl]-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-[3-(dimethylamino)phenyl]-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide
PubChem CID110563703
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[4-[1-[3-(dimethylamino)phenyl]-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(N3CCCCC3)C(=O)N(c3cccc(N(C)C)c3)C2=O)cc1
InChIInChI=1S/C25H28N4O3/c1-17(30)26-19-12-10-18(11-13-19)22-23(28-14-5-4-6-15-28)25(32)29(24(22)31)21-9-7-8-20(16-21)27(2)3/h7-13,16H,4-6,14-15H2,1-3H3,(H,26,30)
InChIKeyFZLAQCUAGNADFQ-UHFFFAOYSA-N
XLogP3.48
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[1-[3-(dimethylamino)phenyl]-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(dimethylamino)phenyl]-3-(4-methylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110574629
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110558135
N-[4-[1-(3,5-dimethylphenyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide
CID 110563209
1-[3-(dimethylamino)phenyl]-3-(4-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110548037
1-[3-(dimethylamino)phenyl]-3-[3-(hydroxymethyl)piperidin-1-yl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574646
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110558141
1-[4-(dimethylamino)phenyl]-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110543115
1-[4-(dimethylamino)phenyl]-3-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110543119
N-[4-[1-(2-methylpropyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide
CID 110562964
1-[3-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110561986
1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 22728644
1-(3-chlorophenyl)-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110545231

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[3-(dimethylamino)phenyl]-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-[3-(dimethylamino)phenyl]-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide (CID 110563703) is N-[4-[1-[3-(dimethylamino)phenyl]-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-[3-(dimethylamino)phenyl]-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-[3-(dimethylamino)phenyl]-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=C(N3CCCCC3)C(=O)N(c3cccc(N(C)C)c3)C2=O)cc1.
What is the InChIKey of N-[4-[1-[3-(dimethylamino)phenyl]-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide?
The InChIKey is FZLAQCUAGNADFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17(30)26-19-12-10-18(11-13-19)22-23(28-14-5-4-6-15-28)25(32)29(24(22)31)21-9-7-8-20(16-21)27(2)3/h7-13,16H,4-6,14-15H2,1-3H3,(H,26,30).
What are the key properties of N-[4-[1-[3-(dimethylamino)phenyl]-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide?
N-[4-[1-[3-(dimethylamino)phenyl]-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide has a molecular weight of 432.52 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[3-(dimethylamino)phenyl]-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110563703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).