2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]piperazin-1-yl]ethanone

C28H36N6O3 — CID 10720301

IUPAC2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]piperazin-1-yl]ethanone
SMILESNCCc1c[nH]c2ccc(OCCN3CCN(C(=O)COc4ccc5[nH]cc(CCN)c5c4)CC3)cc12
InChIInChI=1S/C28H36N6O3/c29-7-5-20-17-31-26-3-1-22(15-24(20)26)36-14-13-33-9-11-34(12-10-33)28(35)19-37-23-2-4-27-25(16-23)21(6-8-30)18-32-27/h1-4,15-18,31-32H,5-14,19,29-30H2
InChIKeyGFOYUJCBRJCYDH-UHFFFAOYSA-N
MW504.64 g/mol
LogP2.25
Rot. Bonds11

About 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]piperazin-1-yl]ethanone

2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]piperazin-1-yl]ethanone (PubChem CID 10720301) has the molecular formula C28H36N6O3 and a molecular weight of 504.64 g/mol. Its IUPAC name is 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]piperazin-1-yl]ethanone
PubChem CID10720301
Molecular FormulaC28H36N6O3
Molecular Weight504.64 g/mol
Exact Mass504.28
IUPAC Name2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]piperazin-1-yl]ethanone
SMILESNCCc1c[nH]c2ccc(OCCN3CCN(C(=O)COc4ccc5[nH]cc(CCN)c5c4)CC3)cc12
InChIInChI=1S/C28H36N6O3/c29-7-5-20-17-31-26-3-1-22(15-24(20)26)36-14-13-33-9-11-34(12-10-33)28(35)19-37-23-2-4-27-25(16-23)21(6-8-30)18-32-27/h1-4,15-18,31-32H,5-14,19,29-30H2
InChIKeyGFOYUJCBRJCYDH-UHFFFAOYSA-N
XLogP2.25
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.64
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]piperazin-1-yl]ethanone (CID 10720301) is 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]piperazin-1-yl]ethanone is NCCc1c[nH]c2ccc(OCCN3CCN(C(=O)COc4ccc5[nH]cc(CCN)c5c4)CC3)cc12.
What is the InChIKey of 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]piperazin-1-yl]ethanone?
The InChIKey is GFOYUJCBRJCYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O3/c29-7-5-20-17-31-26-3-1-22(15-24(20)26)36-14-13-33-9-11-34(12-10-33)28(35)19-37-23-2-4-27-25(16-23)21(6-8-30)18-32-27/h1-4,15-18,31-32H,5-14,19,29-30H2.
What are the key properties of 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]piperazin-1-yl]ethanone?
2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]piperazin-1-yl]ethanone has a molecular weight of 504.64 g/mol, XLogP of 2.25, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 10720301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).