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

C27H26N4O2 — CID 2401

IUPAC3-(1H-indol-3-yl)-4-[1-(2-piperidin-2-ylethyl)indol-3-yl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCC3CCCCN3)c3ccccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C27H26N4O2/c32-26-24(20-15-29-22-10-3-1-8-18(20)22)25(27(33)30-26)21-16-31(23-11-4-2-9-19(21)23)14-12-17-7-5-6-13-28-17/h1-4,8-11,15-17,28-29H,5-7,12-14H2,(H,30,32,33)
InChIKeyFZUIMWOIRBMAOH-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.22
Rot. Bonds5

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

3-(1H-indol-3-yl)-4-[1-(2-piperidin-2-ylethyl)indol-3-yl]pyrrole-2,5-dione (PubChem CID 2401) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-4-[1-(2-piperidin-2-ylethyl)indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-4-[1-(2-piperidin-2-ylethyl)indol-3-yl]pyrrole-2,5-dione
PubChem CID2401
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name3-(1H-indol-3-yl)-4-[1-(2-piperidin-2-ylethyl)indol-3-yl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCC3CCCCN3)c3ccccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C27H26N4O2/c32-26-24(20-15-29-22-10-3-1-8-18(20)22)25(27(33)30-26)21-16-31(23-11-4-2-9-19(21)23)14-12-17-7-5-6-13-28-17/h1-4,8-11,15-17,28-29H,5-7,12-14H2,(H,30,32,33)
InChIKeyFZUIMWOIRBMAOH-UHFFFAOYSA-N
XLogP4.22
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-4-[1-(2-piperidin-2-ylethyl)indol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(1H-indol-3-yl)-4-[1-(2-piperidin-2-ylethyl)indol-3-yl]pyrrole-2,5-dione (CID 2401) is 3-(1H-indol-3-yl)-4-[1-(2-piperidin-2-ylethyl)indol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1H-indol-3-yl)-4-[1-(2-piperidin-2-ylethyl)indol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-4-[1-(2-piperidin-2-ylethyl)indol-3-yl]pyrrole-2,5-dione is O=C1NC(=O)C(c2cn(CCC3CCCCN3)c3ccccc23)=C1c1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-4-[1-(2-piperidin-2-ylethyl)indol-3-yl]pyrrole-2,5-dione?
The InChIKey is FZUIMWOIRBMAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c32-26-24(20-15-29-22-10-3-1-8-18(20)22)25(27(33)30-26)21-16-31(23-11-4-2-9-19(21)23)14-12-17-7-5-6-13-28-17/h1-4,8-11,15-17,28-29H,5-7,12-14H2,(H,30,32,33).
What are the key properties of 3-(1H-indol-3-yl)-4-[1-(2-piperidin-2-ylethyl)indol-3-yl]pyrrole-2,5-dione?
3-(1H-indol-3-yl)-4-[1-(2-piperidin-2-ylethyl)indol-3-yl]pyrrole-2,5-dione has a molecular weight of 438.53 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-4-[1-(2-piperidin-2-ylethyl)indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 2401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).