3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-6(6aH)-one

HCID 46864366
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Basic information

Standard SMILES
O=C1Nc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)cnc2N2CCCCC12
InChIKey
SELQHPXHMAWJJK-UHFFFAOYSA-N
Molecular formula
C22H26ClN5O
Average molar mass
411.9 g/mol

Names & identifiers

Preferred name
3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-6(6aH)-one
IUPAC
5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one

Names & synonyms

SCHEMBL710346SELQHPXHMAWJJK-UHFFFAOYSA-N3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-6(6aH)-one

Database identifiers

PubChem CID
46864366

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
51.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
29

Related reactions

7 records
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Compound notes

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