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

C31H36N4O4 — CID 155512422

IUPAC3-(5-methoxy-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]c6ccc(OC)cc56)C4=O)C3)c2c1
InChIInChI=1S/C31H36N4O4/c1-38-21-7-9-28-23(14-21)26(17-32-28)20-6-5-12-34(19-20)11-3-4-13-35-30(36)16-25(31(35)37)27-18-33-29-10-8-22(39-2)15-24(27)29/h7-10,14-15,17-18,20,25,32-33H,3-6,11-13,16,19H2,1-2H3
InChIKeyCLIHRGFJCAPYEM-UHFFFAOYSA-N
MW528.65 g/mol
LogP5.17
Rot. Bonds9

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

3-(5-methoxy-1H-indol-3-yl)-1-[4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione (PubChem CID 155512422) has the molecular formula C31H36N4O4 and a molecular weight of 528.65 g/mol. Its IUPAC name is 3-(5-methoxy-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-(5-methoxy-1H-indol-3-yl)-1-[4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione
PubChem CID155512422
Molecular FormulaC31H36N4O4
Molecular Weight528.65 g/mol
Exact Mass528.27
IUPAC Name3-(5-methoxy-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]c6ccc(OC)cc56)C4=O)C3)c2c1
InChIInChI=1S/C31H36N4O4/c1-38-21-7-9-28-23(14-21)26(17-32-28)20-6-5-12-34(19-20)11-3-4-13-35-30(36)16-25(31(35)37)27-18-33-29-10-8-22(39-2)15-24(27)29/h7-10,14-15,17-18,20,25,32-33H,3-6,11-13,16,19H2,1-2H3
InChIKeyCLIHRGFJCAPYEM-UHFFFAOYSA-N
XLogP5.17
TPSA90.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.65
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-methoxy-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-(5-methoxy-1H-indol-3-yl)-1-[4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione (CID 155512422) is 3-(5-methoxy-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-(5-methoxy-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-(5-methoxy-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]c6ccc(OC)cc56)C4=O)C3)c2c1.
What is the InChIKey of 3-(5-methoxy-1H-indol-3-yl)-1-[4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione?
The InChIKey is CLIHRGFJCAPYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O4/c1-38-21-7-9-28-23(14-21)26(17-32-28)20-6-5-12-34(19-20)11-3-4-13-35-30(36)16-25(31(35)37)27-18-33-29-10-8-22(39-2)15-24(27)29/h7-10,14-15,17-18,20,25,32-33H,3-6,11-13,16,19H2,1-2H3.
What are the key properties of 3-(5-methoxy-1H-indol-3-yl)-1-[4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione?
3-(5-methoxy-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 528.65 g/mol, XLogP of 5.17, 9 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-[4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 155512422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).