Ketone, (6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indol-2-yl) piperidino
Basic information
- CAS
3889-00-7- Standard SMILES
CC1NCCc2c(C(=O)N3CCCCC3)[nH]c3cccc1c23- InChIKey
WGZWPLZNQCSXCL-UHFFFAOYSA-N- Molecular formula
- C18H23N3O
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.18411237
Names & identifiers
- Preferred name
- Ketone, (6-methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indol-2-yl) piperidino
- IUPAC
- (9-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)-piperidin-1-ylmethanone
- English name
- 6-Methyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-2-ylpiperidino ketone
- Molecular weight
- 0
Names & synonyms
BRN 41510173889-00-76-Methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indolyl piperidino ketone1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-2-piperidinocarbonyl-6-Methyl-2-piperidinocarbonyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3,cd)indoleKETONE, (6-METHYL-3,4,5,6-TETRAHYDRO-1H-AZEPINO(5,4,3-cd)INDOL-2-YL) PIPERIDINORefChem:350365DTXSID309596586-Methyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-2-ylpiperidino ketone(6-methyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-2-yl)(piperidin-1-yl)methanone
Database identifiers
- CAS
3889-00-7- PubChem CID
- 19768
- DTXSID
DTXSID30959658- Nikkaji
- J96.801C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
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Compound notes
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