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

C27H34N4O — CID 72734845

IUPAC3-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccccc45)CC3)c2c1
InChIInChI=1S/C27H34N4O/c1-32-23-10-11-27-25(18-23)22(20-29-27)7-5-13-31-16-14-30(15-17-31)12-4-6-21-19-28-26-9-3-2-8-24(21)26/h2-3,8-11,18-20,28-29H,4-7,12-17H2,1H3
InChIKeyVYIPGOSBTWWNBJ-UHFFFAOYSA-N
MW430.60 g/mol
LogP4.84
Rot. Bonds9

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

3-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole (PubChem CID 72734845) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is 3-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
PubChem CID72734845
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC Name3-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccccc45)CC3)c2c1
InChIInChI=1S/C27H34N4O/c1-32-23-10-11-27-25(18-23)22(20-29-27)7-5-13-31-16-14-30(15-17-31)12-4-6-21-19-28-26-9-3-2-8-24(21)26/h2-3,8-11,18-20,28-29H,4-7,12-17H2,1H3
InChIKeyVYIPGOSBTWWNBJ-UHFFFAOYSA-N
XLogP4.84
TPSA47.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole?
The IUPAC name of 3-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole (CID 72734845) is 3-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole is COc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccccc45)CC3)c2c1.
What is the InChIKey of 3-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole?
The InChIKey is VYIPGOSBTWWNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c1-32-23-10-11-27-25(18-23)22(20-29-27)7-5-13-31-16-14-30(15-17-31)12-4-6-21-19-28-26-9-3-2-8-24(21)26/h2-3,8-11,18-20,28-29H,4-7,12-17H2,1H3.
What are the key properties of 3-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole?
3-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole has a molecular weight of 430.60 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole is sourced from PubChem (CID 72734845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).