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2-Ethyl-8-(1-isopropyl-piperidin-4-yloxy)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

HCID 16679708
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN1CCn2c(cc3cc(OC4CCN(C(C)C)CC4)ccc32)C1=O
InChIKey
WJDZQYFIUQYVPS-UHFFFAOYSA-N
Molecular formula
C21H29N3O2
Average molar mass
355.5 g/mol
Monoisotopic mass
355.22597718

Names & identifiers

Preferred name
2-Ethyl-8-(1-isopropyl-piperidin-4-yloxy)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
IUPAC
2-ethyl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one

Names & synonyms

SCHEMBL2971074WJDZQYFIUQYVPS-UHFFFAOYSA-N2-Ethyl-8-(1-isopropyl-piperidin-4-yloxy)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

Database identifiers

PubChem CID
16679708

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
37.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
26
Formal charge
0
Complexity
503

Related reactions

3 records
New reaction record
HRID 155810 reaction equation
HRID 155810As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 506675 reaction equation
HRID 506675As productuspto-grants-2010_08
HRID 2105360 reaction equation
HRID 2105360As productuspto-grants-2009_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes