3-(1H-indol-3-yl)-1-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione

C29H32N4O2 — CID 155536841

IUPAC3-(1H-indol-3-yl)-1-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCCN1CCCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C29H32N4O2/c34-28-16-23(25-18-31-27-12-4-2-10-22(25)27)29(35)33(28)15-6-5-13-32-14-7-8-20(19-32)24-17-30-26-11-3-1-9-21(24)26/h1-4,9-12,17-18,20,23,30-31H,5-8,13-16,19H2
InChIKeyXYCCNFSNSXYSMF-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.15
Rot. Bonds7

About 3-(1H-indol-3-yl)-1-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione

3-(1H-indol-3-yl)-1-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione (PubChem CID 155536841) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione
PubChem CID155536841
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name3-(1H-indol-3-yl)-1-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCCN1CCCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C29H32N4O2/c34-28-16-23(25-18-31-27-12-4-2-10-22(25)27)29(35)33(28)15-6-5-13-32-14-7-8-20(19-32)24-17-30-26-11-3-1-9-21(24)26/h1-4,9-12,17-18,20,23,30-31H,5-8,13-16,19H2
InChIKeyXYCCNFSNSXYSMF-UHFFFAOYSA-N
XLogP5.15
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(1H-indol-3-yl)-1-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione (CID 155536841) is 3-(1H-indol-3-yl)-1-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-1-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione is O=C1CC(c2c[nH]c3ccccc23)C(=O)N1CCCCN1CCCC(c2c[nH]c3ccccc23)C1.
What is the InChIKey of 3-(1H-indol-3-yl)-1-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione?
The InChIKey is XYCCNFSNSXYSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c34-28-16-23(25-18-31-27-12-4-2-10-22(25)27)29(35)33(28)15-6-5-13-32-14-7-8-20(19-32)24-17-30-26-11-3-1-9-21(24)26/h1-4,9-12,17-18,20,23,30-31H,5-8,13-16,19H2.
What are the key properties of 3-(1H-indol-3-yl)-1-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione?
3-(1H-indol-3-yl)-1-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione has a molecular weight of 468.60 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 155536841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).