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

C29H32N4O4 — CID 155524366

IUPAC3-(5-methoxy-1H-indol-3-yl)-1-[2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCOc1ccc2[nH]cc(C3CCN(CCN4C(=O)CC(c5c[nH]c6ccc(OC)cc56)C4=O)CC3)c2c1
InChIInChI=1S/C29H32N4O4/c1-36-19-3-5-26-21(13-19)24(16-30-26)18-7-9-32(10-8-18)11-12-33-28(34)15-23(29(33)35)25-17-31-27-6-4-20(37-2)14-22(25)27/h3-6,13-14,16-18,23,30-31H,7-12,15H2,1-2H3
InChIKeySACBHZXWVASVNF-UHFFFAOYSA-N
MW500.60 g/mol
LogP4.39
Rot. Bonds7

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

3-(5-methoxy-1H-indol-3-yl)-1-[2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 155524366) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is 3-(5-methoxy-1H-indol-3-yl)-1-[2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(5-methoxy-1H-indol-3-yl)-1-[2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID155524366
Molecular FormulaC29H32N4O4
Molecular Weight500.60 g/mol
Exact Mass500.24
IUPAC Name3-(5-methoxy-1H-indol-3-yl)-1-[2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCOc1ccc2[nH]cc(C3CCN(CCN4C(=O)CC(c5c[nH]c6ccc(OC)cc56)C4=O)CC3)c2c1
InChIInChI=1S/C29H32N4O4/c1-36-19-3-5-26-21(13-19)24(16-30-26)18-7-9-32(10-8-18)11-12-33-28(34)15-23(29(33)35)25-17-31-27-6-4-20(37-2)14-22(25)27/h3-6,13-14,16-18,23,30-31H,7-12,15H2,1-2H3
InChIKeySACBHZXWVASVNF-UHFFFAOYSA-N
XLogP4.39
TPSA90.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-methoxy-1H-indol-3-yl)-1-[2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(5-methoxy-1H-indol-3-yl)-1-[2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 155524366) is 3-(5-methoxy-1H-indol-3-yl)-1-[2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(5-methoxy-1H-indol-3-yl)-1-[2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(5-methoxy-1H-indol-3-yl)-1-[2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is COc1ccc2[nH]cc(C3CCN(CCN4C(=O)CC(c5c[nH]c6ccc(OC)cc56)C4=O)CC3)c2c1.
What is the InChIKey of 3-(5-methoxy-1H-indol-3-yl)-1-[2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is SACBHZXWVASVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-36-19-3-5-26-21(13-19)24(16-30-26)18-7-9-32(10-8-18)11-12-33-28(34)15-23(29(33)35)25-17-31-27-6-4-20(37-2)14-22(25)27/h3-6,13-14,16-18,23,30-31H,7-12,15H2,1-2H3.
What are the key properties of 3-(5-methoxy-1H-indol-3-yl)-1-[2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
3-(5-methoxy-1H-indol-3-yl)-1-[2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 500.60 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1H-indol-3-yl)-1-[2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 155524366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).