2-(2,6-dioxopiperidin-3-yl)-5-[(2-piperidin-4-ylpyrrolidin-1-yl)methyl]isoindole-1,3-dione

C23H28N4O4 — CID 167720796

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[(2-piperidin-4-ylpyrrolidin-1-yl)methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CN4CCCC4C4CCNCC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H28N4O4/c28-20-6-5-19(21(29)25-20)27-22(30)16-4-3-14(12-17(16)23(27)31)13-26-11-1-2-18(26)15-7-9-24-10-8-15/h3-4,12,15,18-19,24H,1-2,5-11,13H2,(H,25,28,29)
InChIKeyYVNHIVPLKYEODG-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.05
Rot. Bonds4

About 2-(2,6-dioxopiperidin-3-yl)-5-[(2-piperidin-4-ylpyrrolidin-1-yl)methyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[(2-piperidin-4-ylpyrrolidin-1-yl)methyl]isoindole-1,3-dione (PubChem CID 167720796) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[(2-piperidin-4-ylpyrrolidin-1-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[(2-piperidin-4-ylpyrrolidin-1-yl)methyl]isoindole-1,3-dione
PubChem CID167720796
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[(2-piperidin-4-ylpyrrolidin-1-yl)methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CN4CCCC4C4CCNCC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H28N4O4/c28-20-6-5-19(21(29)25-20)27-22(30)16-4-3-14(12-17(16)23(27)31)13-26-11-1-2-18(26)15-7-9-24-10-8-15/h3-4,12,15,18-19,24H,1-2,5-11,13H2,(H,25,28,29)
InChIKeyYVNHIVPLKYEODG-UHFFFAOYSA-N
XLogP1.05
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-[(2-piperidin-4-ylpyrrolidin-1-yl)methyl]isoindole-1,3-dione 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

5-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167736723
2-(2,6-dioxopiperidin-3-yl)-5-[(7-methyl-1,4-diazepan-1-yl)methyl]isoindole-1,3-dione
CID 167716655
2-(2,6-dioxopiperidin-3-yl)-5-(imidazolidin-1-ylmethyl)isoindole-1,3-dione
CID 167715877
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-2,6-naphthyridin-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167731647
2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperazin-1-ylazetidin-1-yl)methyl]isoindole-1,3-dione
CID 167720853
5-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167722447
5-[[(5aS,8aR)-5a-methyl-2,3,4,5,6,7,8,8a-octahydrocyclopenta[e][1,4]diazepin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167733376
2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperidin-2-ylmorpholin-4-yl)methyl]isoindole-1,3-dione
CID 167717369
2-(2,6-dioxopiperidin-3-yl)-5-[[3-(piperazin-1-ylmethyl)azetidin-1-yl]methyl]isoindole-1,3-dione
CID 167730880
2-(2,6-dioxopiperidin-3-yl)-5-[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenyl]isoindole-1,3-dione
CID 175660278
2-(2,6-dioxopiperidin-3-yl)-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 167736784
5-[[(3aS,6aR)-spiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167730275

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[(2-piperidin-4-ylpyrrolidin-1-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[(2-piperidin-4-ylpyrrolidin-1-yl)methyl]isoindole-1,3-dione (CID 167720796) is 2-(2,6-dioxopiperidin-3-yl)-5-[(2-piperidin-4-ylpyrrolidin-1-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[(2-piperidin-4-ylpyrrolidin-1-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[(2-piperidin-4-ylpyrrolidin-1-yl)methyl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(CN4CCCC4C4CCNCC4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[(2-piperidin-4-ylpyrrolidin-1-yl)methyl]isoindole-1,3-dione?
The InChIKey is YVNHIVPLKYEODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c28-20-6-5-19(21(29)25-20)27-22(30)16-4-3-14(12-17(16)23(27)31)13-26-11-1-2-18(26)15-7-9-24-10-8-15/h3-4,12,15,18-19,24H,1-2,5-11,13H2,(H,25,28,29).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[(2-piperidin-4-ylpyrrolidin-1-yl)methyl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[(2-piperidin-4-ylpyrrolidin-1-yl)methyl]isoindole-1,3-dione has a molecular weight of 424.50 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[(2-piperidin-4-ylpyrrolidin-1-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 167720796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).