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

C30H34N4O4 — CID 155522329

IUPAC3-(5-methoxy-1H-indol-3-yl)-1-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione
SMILESCOc1ccc2[nH]cc(C3CCN(CCCN4C(=O)CC(c5c[nH]c6ccc(OC)cc56)C4=O)CC3)c2c1
InChIInChI=1S/C30H34N4O4/c1-37-20-4-6-27-22(14-20)25(17-31-27)19-8-12-33(13-9-19)10-3-11-34-29(35)16-24(30(34)36)26-18-32-28-7-5-21(38-2)15-23(26)28/h4-7,14-15,17-19,24,31-32H,3,8-13,16H2,1-2H3
InChIKeyDUKSKPMBVYFYDT-UHFFFAOYSA-N
MW514.63 g/mol
LogP4.78
Rot. Bonds8

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

3-(5-methoxy-1H-indol-3-yl)-1-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione (PubChem CID 155522329) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is 3-(5-methoxy-1H-indol-3-yl)-1-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(5-methoxy-1H-indol-3-yl)-1-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione
PubChem CID155522329
Molecular FormulaC30H34N4O4
Molecular Weight514.63 g/mol
Exact Mass514.26
IUPAC Name3-(5-methoxy-1H-indol-3-yl)-1-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione
SMILESCOc1ccc2[nH]cc(C3CCN(CCCN4C(=O)CC(c5c[nH]c6ccc(OC)cc56)C4=O)CC3)c2c1
InChIInChI=1S/C30H34N4O4/c1-37-20-4-6-27-22(14-20)25(17-31-27)19-8-12-33(13-9-19)10-3-11-34-29(35)16-24(30(34)36)26-18-32-28-7-5-21(38-2)15-23(26)28/h4-7,14-15,17-19,24,31-32H,3,8-13,16H2,1-2H3
InChIKeyDUKSKPMBVYFYDT-UHFFFAOYSA-N
XLogP4.78
TPSA90.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.63
LogP ≤ 54.78
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-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(5-methoxy-1H-indol-3-yl)-1-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione (CID 155522329) is 3-(5-methoxy-1H-indol-3-yl)-1-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(5-methoxy-1H-indol-3-yl)-1-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(5-methoxy-1H-indol-3-yl)-1-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione is COc1ccc2[nH]cc(C3CCN(CCCN4C(=O)CC(c5c[nH]c6ccc(OC)cc56)C4=O)CC3)c2c1.
What is the InChIKey of 3-(5-methoxy-1H-indol-3-yl)-1-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione?
The InChIKey is DUKSKPMBVYFYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-37-20-4-6-27-22(14-20)25(17-31-27)19-8-12-33(13-9-19)10-3-11-34-29(35)16-24(30(34)36)26-18-32-28-7-5-21(38-2)15-23(26)28/h4-7,14-15,17-19,24,31-32H,3,8-13,16H2,1-2H3.
What are the key properties of 3-(5-methoxy-1H-indol-3-yl)-1-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione?
3-(5-methoxy-1H-indol-3-yl)-1-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione has a molecular weight of 514.63 g/mol, XLogP of 4.78, 8 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-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 155522329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).