Basic information
- Standard SMILES
CC(C)(C)N1CCC(Oc2ccc(-n3ccc(C(=O)N4CCCC4)c3)cc2)CC1- InChIKey
AATIVLNBQWCTAX-UHFFFAOYSA-N- Molecular formula
- C24H33N3O2
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 395.2572773
Names & identifiers
- Preferred name
- (1-{4-[(1-tert-butylpiperidin-4-yl)oxy]phenyl}-1H-pyrrol-3-yl)(pyrrolidin-1-yl)methanone
- IUPAC
- [1-[4-(1-tert-butylpiperidin-4-yl)oxyphenyl]pyrrol-3-yl]-pyrrolidin-1-ylmethanone
Names & synonyms
SCHEMBL16161389AATIVLNBQWCTAX-UHFFFAOYSA-N(1-{4-[(1-tert-butylpiperidin-4-yl)oxy]phenyl}-1H-pyrrol-3-yl)(pyrrolidin-1-yl)methanone
Database identifiers
- PubChem CID
- 117640892
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 539
Related reactions
1 records
Compound notes
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