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N-[1-cyclohexyl-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-yl]-N,1-dimethylcyclohexane-1-carboxamide

HCID 178489302
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccccc1C1CCN(CC(CC2CCCCC2)N(C)C(=O)C2(C)CCCCC2)CC1
InChIKey
HAQORUWYTBANQB-UHFFFAOYSA-N
Molecular formula
C30H48N2O2
Average molar mass
468.7 g/mol
Monoisotopic mass
468.37157878

Names & identifiers

IUPAC
N-[1-cyclohexyl-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-yl]-N,1-dimethylcyclohexane-1-carboxamide

Database identifiers

PubChem CID
85433328

Properties

Computed structural properties

XLogP
7.6
Topological polar surface area
32.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
34
Formal charge
0
Complexity
617

Related reactions

1 records
New reaction record
HRID 321227 reaction equation
HRID 321227As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes