1-[2-(5-bromo-1-methylindol-3-yl)ethyl]piperazin-2-one

C15H18BrN3O — CID 84646589

IUPAC1-[2-(5-bromo-1-methylindol-3-yl)ethyl]piperazin-2-one
SMILESCn1cc(CCN2CCNCC2=O)c2cc(Br)ccc21
InChIInChI=1S/C15H18BrN3O/c1-18-10-11(13-8-12(16)2-3-14(13)18)4-6-19-7-5-17-9-15(19)20/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyHIVARYWFFHYGLY-UHFFFAOYSA-N
MW336.23 g/mol
LogP1.92
Rot. Bonds3

About 1-[2-(5-bromo-1-methylindol-3-yl)ethyl]piperazin-2-one

1-[2-(5-bromo-1-methylindol-3-yl)ethyl]piperazin-2-one (PubChem CID 84646589) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-[2-(5-bromo-1-methylindol-3-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name1-[2-(5-bromo-1-methylindol-3-yl)ethyl]piperazin-2-one
PubChem CID84646589
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name1-[2-(5-bromo-1-methylindol-3-yl)ethyl]piperazin-2-one
SMILESCn1cc(CCN2CCNCC2=O)c2cc(Br)ccc21
InChIInChI=1S/C15H18BrN3O/c1-18-10-11(13-8-12(16)2-3-14(13)18)4-6-19-7-5-17-9-15(19)20/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyHIVARYWFFHYGLY-UHFFFAOYSA-N
XLogP1.92
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-1-methylindol-3-yl)ethyl]piperazin-2-one?
The IUPAC name of 1-[2-(5-bromo-1-methylindol-3-yl)ethyl]piperazin-2-one (CID 84646589) is 1-[2-(5-bromo-1-methylindol-3-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 1-[2-(5-bromo-1-methylindol-3-yl)ethyl]piperazin-2-one?
The canonical SMILES for 1-[2-(5-bromo-1-methylindol-3-yl)ethyl]piperazin-2-one is Cn1cc(CCN2CCNCC2=O)c2cc(Br)ccc21.
What is the InChIKey of 1-[2-(5-bromo-1-methylindol-3-yl)ethyl]piperazin-2-one?
The InChIKey is HIVARYWFFHYGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-18-10-11(13-8-12(16)2-3-14(13)18)4-6-19-7-5-17-9-15(19)20/h2-3,8,10,17H,4-7,9H2,1H3.
What are the key properties of 1-[2-(5-bromo-1-methylindol-3-yl)ethyl]piperazin-2-one?
1-[2-(5-bromo-1-methylindol-3-yl)ethyl]piperazin-2-one has a molecular weight of 336.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-1-methylindol-3-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 84646589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).