Basic information
- Standard SMILES
O=C(CNc1ccc2cn[nH]c2c1)N1CCC(Cc2ccccc2)CC1- InChIKey
KRTHIIFVTLSOTI-UHFFFAOYSA-N- Molecular formula
- C21H24N4O
- Average molar mass
- 348.4 g/mol
Names & identifiers
- Preferred name
- 1-(4-Benzyl-piperidin-1-yl)-2-(1H-indazol-6-yl-amino)-ethanone
- IUPAC
- 1-(4-benzylpiperidin-1-yl)-2-(1H-indazol-6-ylamino)ethanone
Names & synonyms
SCHEMBL4579190KRTHIIFVTLSOTI-UHFFFAOYSA-N1-(4-Benzyl-piperidin-1-yl)-2-(1H-indazol-6-yl-amino)-ethanone
Database identifiers
- PubChem CID
- 69101040
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 457
Related reactions
2 records
Compound notes
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