cis-1-[4-[3-Methoxy-4-[(phenylmethyl)amino]-1-piperidinyl]-1-oxobutyl]pyrrolidine
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Basic information
- Standard SMILES
CO[C@@H]1CN(CCCC(=O)N2CCCC2)CC[C@@H]1NCc1ccccc1- InChIKey
BMDDFFKTSJUQHY-VQTJNVASSA-N- Molecular formula
- C21H33N3O2
- Average molar mass
- 359.5 g/mol
Names & identifiers
- Preferred name
- cis-1-[4-[3-Methoxy-4-[(phenylmethyl)amino]-1-piperidinyl]-1-oxobutyl]pyrrolidine
- IUPAC
- 4-[(3R,4S)-4-(benzylamino)-3-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylbutan-1-one
Names & synonyms
SCHEMBL7298717BMDDFFKTSJUQHY-VQTJNVASSA-Ncis-1-[4-[3-methoxy-4-[(phenylmethyl)amino]-1 piperidinyl]-1-oxobutyl]pyrrolidinecis-1-[4-[3-methoxy-4-[(phenylmethyl)amino]-1-piperidinyl]-1-oxobutyl]pyrrolidine
Database identifiers
- PubChem CID
- 70048899
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 419
Related reactions
3 records
Compound notes
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