4-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione

C24H26N2O3 — CID 54443956

IUPAC4-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione
SMILESO=C1NC(=O)c2c(CCCCN3CCC4(CC3)Cc3ccccc3O4)cccc21
InChIInChI=1S/C24H26N2O3/c27-22-19-9-5-8-17(21(19)23(28)25-22)6-3-4-13-26-14-11-24(12-15-26)16-18-7-1-2-10-20(18)29-24/h1-2,5,7-10H,3-4,6,11-16H2,(H,25,27,28)
InChIKeyWQDLOYKVVANNFR-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.36
Rot. Bonds5

About 4-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione

4-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione (PubChem CID 54443956) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione
PubChem CID54443956
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name4-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione
SMILESO=C1NC(=O)c2c(CCCCN3CCC4(CC3)Cc3ccccc3O4)cccc21
InChIInChI=1S/C24H26N2O3/c27-22-19-9-5-8-17(21(19)23(28)25-22)6-3-4-13-26-14-11-24(12-15-26)16-18-7-1-2-10-20(18)29-24/h1-2,5,7-10H,3-4,6,11-16H2,(H,25,27,28)
InChIKeyWQDLOYKVVANNFR-UHFFFAOYSA-N
XLogP3.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)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

Frequently Asked Questions

What is the IUPAC name of 4-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione?
The IUPAC name of 4-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione (CID 54443956) is 4-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione.
What is the SMILES notation for 4-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione?
The canonical SMILES for 4-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione is O=C1NC(=O)c2c(CCCCN3CCC4(CC3)Cc3ccccc3O4)cccc21.
What is the InChIKey of 4-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione?
The InChIKey is WQDLOYKVVANNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c27-22-19-9-5-8-17(21(19)23(28)25-22)6-3-4-13-26-14-11-24(12-15-26)16-18-7-1-2-10-20(18)29-24/h1-2,5,7-10H,3-4,6,11-16H2,(H,25,27,28).
What are the key properties of 4-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione?
4-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione has a molecular weight of 390.48 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione is sourced from PubChem (CID 54443956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).