Basic information
- Standard SMILES
C=CCN1C[C@H](C)N([C@@H](c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)C[C@H]1C- InChIKey
WGIDFDFAOQVAHY-UFPGJGBJSA-N- Molecular formula
- C27H37N3O
- Average molar mass
- 419.6 g/mol
- Monoisotopic mass
- 419.29366281
Names & identifiers
- Preferred name
- 4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
- IUPAC
- 4-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-phenylmethyl]-N,N-diethylbenzamide
Names & synonyms
SNC 162SNC162178803-51-54-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-phenylmethyl]-N,N-diethylbenzamide4-[(S)-[(2S,5R)-2,5-DIMETHYL-4-(2-PROPENYL)-1-PIPERAZINYL]PHENYLMETHYL]-N,N-DIETHYLBENZAMIDE4-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]-phenylmethyl]-N,N-diethylbenzamideCHEMBL153648Tocris-1529orb1704048SCHEMBL4576186CHEBI:107652WGIDFDFAOQVAHY-UFPGJGBJSA-N
Show more names
HMS3268A21EX-A14334AKOS024456650NCGC00025203-01DA-77901MS-32588HY-107741CS-0029433
Database identifiers
- PubChem CID
- 6604878
- ChEMBL
CHEMBL153648- ChEBI
CHEBI:107652- Nikkaji
- J813.662I
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 561
Related reactions
11 records
Compound notes
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