Basic information
- Standard SMILES
CC(C)COC(=O)NCC1(c2ccc(-c3cccc(C#N)c3)cc2)CCN(CC2CC2)CC1- InChIKey
JMNUDMIDFUSBLK-UHFFFAOYSA-N- Molecular formula
- C28H35N3O2
- Average molar mass
- 445.6 g/mol
Names & identifiers
- Preferred name
- [4-(3'-Cyano-biphenyl-4-yl)-1-cyclopropylmethyl-piperidin-4-ylmethyl]-carbamic acid isobutyl ester
- IUPAC
- 2-methylpropyl N-[[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
Names & synonyms
SCHEMBL6502897JMNUDMIDFUSBLK-UHFFFAOYSA-N[4-(3'-cyano-biphenyl-4-yl)-1-cyclopropylmethyl-piperidin-4-ylmethyl]-carbamic acid isobutyl ester
Database identifiers
- PubChem CID
- 20779461
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 679
Related reactions
1 records
Compound notes
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