1H-indol-2-yl-[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]methanone

C23H24N4O2 — CID 71725065

IUPAC1H-indol-2-yl-[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(CCOc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C23H24N4O2/c28-23(22-16-17-3-1-2-4-21(17)25-22)27-11-9-26(10-12-27)13-14-29-19-5-6-20-18(15-19)7-8-24-20/h1-8,15-16,24-25H,9-14H2
InChIKeyNYYVPFBZAVQNMH-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.49
Rot. Bonds5

About 1H-indol-2-yl-[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]methanone

1H-indol-2-yl-[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]methanone (PubChem CID 71725065) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1H-indol-2-yl-[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]methanone
PubChem CID71725065
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1H-indol-2-yl-[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(CCOc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C23H24N4O2/c28-23(22-16-17-3-1-2-4-21(17)25-22)27-11-9-26(10-12-27)13-14-29-19-5-6-20-18(15-19)7-8-24-20/h1-8,15-16,24-25H,9-14H2
InChIKeyNYYVPFBZAVQNMH-UHFFFAOYSA-N
XLogP3.49
TPSA64.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]methanone (CID 71725065) is 1H-indol-2-yl-[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(CCOc2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of 1H-indol-2-yl-[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]methanone?
The InChIKey is NYYVPFBZAVQNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-23(22-16-17-3-1-2-4-21(17)25-22)27-11-9-26(10-12-27)13-14-29-19-5-6-20-18(15-19)7-8-24-20/h1-8,15-16,24-25H,9-14H2.
What are the key properties of 1H-indol-2-yl-[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]methanone?
1H-indol-2-yl-[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]methanone has a molecular weight of 388.47 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 71725065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).