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

C30H34N4O3 — CID 155540807

IUPAC1-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESCOc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(c5c[nH]c6ccccc56)CC4)C3=O)c2c1
InChIInChI=1S/C30H34N4O3/c1-37-21-8-9-28-23(16-21)26(19-32-28)24-17-29(35)34(30(24)36)13-5-4-12-33-14-10-20(11-15-33)25-18-31-27-7-3-2-6-22(25)27/h2-3,6-9,16,18-20,24,31-32H,4-5,10-15,17H2,1H3
InChIKeyZUDVHWCNTPJCDE-UHFFFAOYSA-N
MW498.63 g/mol
LogP5.16
Rot. Bonds8

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

1-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione (PubChem CID 155540807) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is 1-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
PubChem CID155540807
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC Name1-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESCOc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(c5c[nH]c6ccccc56)CC4)C3=O)c2c1
InChIInChI=1S/C30H34N4O3/c1-37-21-8-9-28-23(16-21)26(19-32-28)24-17-29(35)34(30(24)36)13-5-4-12-33-14-10-20(11-15-33)25-18-31-27-7-3-2-6-22(25)27/h2-3,6-9,16,18-20,24,31-32H,4-5,10-15,17H2,1H3
InChIKeyZUDVHWCNTPJCDE-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 1-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione (CID 155540807) is 1-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione is COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(c5c[nH]c6ccccc56)CC4)C3=O)c2c1.
What is the InChIKey of 1-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is ZUDVHWCNTPJCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-37-21-8-9-28-23(16-21)26(19-32-28)24-17-29(35)34(30(24)36)13-5-4-12-33-14-10-20(11-15-33)25-18-31-27-7-3-2-6-22(25)27/h2-3,6-9,16,18-20,24,31-32H,4-5,10-15,17H2,1H3.
What are the key properties of 1-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione?
1-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-(5-methoxy-1H-indol-3-yl)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 1-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 155540807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).