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

C30H34N4O3 — CID 155544819

IUPAC3-(1H-indol-3-yl)-1-[4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione
SMILESCOc1ccc2[nH]cc(C3CCCN(CCCCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)C3)c2c1
InChIInChI=1S/C30H34N4O3/c1-37-21-10-11-28-23(15-21)25(17-31-28)20-7-6-13-33(19-20)12-4-5-14-34-29(35)16-24(30(34)36)26-18-32-27-9-3-2-8-22(26)27/h2-3,8-11,15,17-18,20,24,31-32H,4-7,12-14,16,19H2,1H3
InChIKeyJHOVJOCHPJLMKE-UHFFFAOYSA-N
MW498.63 g/mol
LogP5.16
Rot. Bonds8

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

3-(1H-indol-3-yl)-1-[4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione (PubChem CID 155544819) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-[4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-[4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione
PubChem CID155544819
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC Name3-(1H-indol-3-yl)-1-[4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione
SMILESCOc1ccc2[nH]cc(C3CCCN(CCCCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)C3)c2c1
InChIInChI=1S/C30H34N4O3/c1-37-21-10-11-28-23(15-21)25(17-31-28)20-7-6-13-33(19-20)12-4-5-14-34-29(35)16-24(30(34)36)26-18-32-27-9-3-2-8-22(26)27/h2-3,8-11,15,17-18,20,24,31-32H,4-7,12-14,16,19H2,1H3
InChIKeyJHOVJOCHPJLMKE-UHFFFAOYSA-N
XLogP5.16
TPSA81.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(1H-indol-3-yl)-1-[4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione (CID 155544819) is 3-(1H-indol-3-yl)-1-[4-[3-(5-methoxy-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-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-1-[4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione is COc1ccc2[nH]cc(C3CCCN(CCCCN4C(=O)CC(c5c[nH]c6ccccc56)C4=O)C3)c2c1.
What is the InChIKey of 3-(1H-indol-3-yl)-1-[4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione?
The InChIKey is JHOVJOCHPJLMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-37-21-10-11-28-23(15-21)25(17-31-28)20-7-6-13-33(19-20)12-4-5-14-34-29(35)16-24(30(34)36)26-18-32-27-9-3-2-8-22(26)27/h2-3,8-11,15,17-18,20,24,31-32H,4-7,12-14,16,19H2,1H3.
What are the key properties of 3-(1H-indol-3-yl)-1-[4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione?
3-(1H-indol-3-yl)-1-[4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione has a molecular weight of 498.63 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-[4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 155544819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).