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

C20H23N5O3 — CID 90683533

IUPAC[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]-(5-methoxypyrazin-2-yl)methanone
SMILESCOc1cnc(C(=O)N2CCN(CCOc3ccc4[nH]ccc4c3)CC2)cn1
InChIInChI=1S/C20H23N5O3/c1-27-19-14-22-18(13-23-19)20(26)25-8-6-24(7-9-25)10-11-28-16-2-3-17-15(12-16)4-5-21-17/h2-5,12-14,21H,6-11H2,1H3
InChIKeyOUMWOPAUWQPQGN-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.80
Rot. Bonds6

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

[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]-(5-methoxypyrazin-2-yl)methanone (PubChem CID 90683533) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is [4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]-(5-methoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]-(5-methoxypyrazin-2-yl)methanone
PubChem CID90683533
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]-(5-methoxypyrazin-2-yl)methanone
SMILESCOc1cnc(C(=O)N2CCN(CCOc3ccc4[nH]ccc4c3)CC2)cn1
InChIInChI=1S/C20H23N5O3/c1-27-19-14-22-18(13-23-19)20(26)25-8-6-24(7-9-25)10-11-28-16-2-3-17-15(12-16)4-5-21-17/h2-5,12-14,21H,6-11H2,1H3
InChIKeyOUMWOPAUWQPQGN-UHFFFAOYSA-N
XLogP1.80
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]-(5-methoxypyrazin-2-yl)methanone?
The IUPAC name of [4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]-(5-methoxypyrazin-2-yl)methanone (CID 90683533) is [4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]-(5-methoxypyrazin-2-yl)methanone.
What is the SMILES notation for [4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]-(5-methoxypyrazin-2-yl)methanone?
The canonical SMILES for [4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]-(5-methoxypyrazin-2-yl)methanone is COc1cnc(C(=O)N2CCN(CCOc3ccc4[nH]ccc4c3)CC2)cn1.
What is the InChIKey of [4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]-(5-methoxypyrazin-2-yl)methanone?
The InChIKey is OUMWOPAUWQPQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-27-19-14-22-18(13-23-19)20(26)25-8-6-24(7-9-25)10-11-28-16-2-3-17-15(12-16)4-5-21-17/h2-5,12-14,21H,6-11H2,1H3.
What are the key properties of [4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]-(5-methoxypyrazin-2-yl)methanone?
[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]-(5-methoxypyrazin-2-yl)methanone has a molecular weight of 381.44 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]-(5-methoxypyrazin-2-yl)methanone is sourced from PubChem (CID 90683533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).