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

C23H25N5O2 — CID 10408880

IUPAC2-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN(C(=O)COc2ccc3[nH]cc(CCN)c3c2)CC1
InChIInChI=1S/C23H25N5O2/c24-8-7-18-15-26-21-6-5-19(13-20(18)21)30-16-23(29)28-11-9-27(10-12-28)22-4-2-1-3-17(22)14-25/h1-6,13,15,26H,7-12,16,24H2
InChIKeyGDPQCZJZKFQSEA-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.27
Rot. Bonds6

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

2-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile (PubChem CID 10408880) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile
PubChem CID10408880
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name2-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN(C(=O)COc2ccc3[nH]cc(CCN)c3c2)CC1
InChIInChI=1S/C23H25N5O2/c24-8-7-18-15-26-21-6-5-19(13-20(18)21)30-16-23(29)28-11-9-27(10-12-28)22-4-2-1-3-17(22)14-25/h1-6,13,15,26H,7-12,16,24H2
InChIKeyGDPQCZJZKFQSEA-UHFFFAOYSA-N
XLogP2.27
TPSA98.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile?
The IUPAC name of 2-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile (CID 10408880) is 2-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile is N#Cc1ccccc1N1CCN(C(=O)COc2ccc3[nH]cc(CCN)c3c2)CC1.
What is the InChIKey of 2-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile?
The InChIKey is GDPQCZJZKFQSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c24-8-7-18-15-26-21-6-5-19(13-20(18)21)30-16-23(29)28-11-9-27(10-12-28)22-4-2-1-3-17(22)14-25/h1-6,13,15,26H,7-12,16,24H2.
What are the key properties of 2-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile?
2-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile has a molecular weight of 403.49 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 10408880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).