4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide

HCID 6604878

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

Related reactions

11 records

Compound notes

Loading…