5-methoxy-3-[3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole

C28H36N4O2 — CID 72734841

IUPAC5-methoxy-3-[3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole
SMILESCOc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccc(OC)cc45)CC3)c2c1
InChIInChI=1S/C28H36N4O2/c1-33-23-7-9-27-25(17-23)21(19-29-27)5-3-11-31-13-15-32(16-14-31)12-4-6-22-20-30-28-10-8-24(34-2)18-26(22)28/h7-10,17-20,29-30H,3-6,11-16H2,1-2H3
InChIKeyZYEZLTYJZNIUDO-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.85
Rot. Bonds10

About 5-methoxy-3-[3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole

5-methoxy-3-[3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole (PubChem CID 72734841) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 5-methoxy-3-[3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole
PubChem CID72734841
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name5-methoxy-3-[3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole
SMILESCOc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccc(OC)cc45)CC3)c2c1
InChIInChI=1S/C28H36N4O2/c1-33-23-7-9-27-25(17-23)21(19-29-27)5-3-11-31-13-15-32(16-14-31)12-4-6-22-20-30-28-10-8-24(34-2)18-26(22)28/h7-10,17-20,29-30H,3-6,11-16H2,1-2H3
InChIKeyZYEZLTYJZNIUDO-UHFFFAOYSA-N
XLogP4.85
TPSA56.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole?
The IUPAC name of 5-methoxy-3-[3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole (CID 72734841) is 5-methoxy-3-[3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole is COc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccc(OC)cc45)CC3)c2c1.
What is the InChIKey of 5-methoxy-3-[3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole?
The InChIKey is ZYEZLTYJZNIUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-33-23-7-9-27-25(17-23)21(19-29-27)5-3-11-31-13-15-32(16-14-31)12-4-6-22-20-30-28-10-8-24(34-2)18-26(22)28/h7-10,17-20,29-30H,3-6,11-16H2,1-2H3.
What are the key properties of 5-methoxy-3-[3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole?
5-methoxy-3-[3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole has a molecular weight of 460.62 g/mol, XLogP of 4.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 72734841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).