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Compound
N-[1-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]cyclopropyl]-N-methylacetamide
HCID
178488954
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Basic information
Standard SMILES
COc1ccc(C2(N(C)C(C)=O)CC2)cc1CNC1CCCNC1c1ccccc1
InChIKey
UBTMBCQWHTVTMV-UHFFFAOYSA-N
Molecular formula
C25H33N3O2
Average molar mass
407.5 g/mol
Monoisotopic mass
407.2572773
Names & identifiers
IUPAC
N-[1-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]cyclopropyl]-N-methylacetamide
Database identifiers
PubChem CID
19066430
Properties
Computed structural properties
XLogP
2.6
Topological polar surface area
53.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
30
Formal charge
0
Complexity
573
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Related reactions
1 records
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As solvent
HRID
143909
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
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