Trans-N-{4-[2-(4-Benzo[1,3]dioxol-4-yl-piperidin-1-yl)-ethyl]-cyclohexyl}-2-(1-hydroxy-cyclohexyl)-acetamide

HCID 60196967

Notes Reactions

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Basic information

Standard SMILES: O=C(CC1(O)CCCCC1)NC1CCC(CCN2CCC(c3cccc4c3OCO4)CC2)CC1
InChIKey: DJNLKADPUUFBDG-UHFFFAOYSA-N
Molecular formula: C28H42N2O4
Average molar mass: 470.6 g/mol

Names & identifiers

Preferred name: Trans-N-{4-[2-(4-Benzo[1,3]dioxol-4-yl-piperidin-1-yl)-ethyl]-cyclohexyl}-2-(1-hydroxy-cyclohexyl)-acetamide
IUPAC: N-[4-[2-[4-(1,3-benzodioxol-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(1-hydroxycyclohexyl)acetamide

Names & synonyms

CHEMBL3664834SCHEMBL12081316SCHEMBL12081317DJNLKADPUUFBDG-AFARHQOCSA-NBDBM107518US8598357, 21Trans-N-{4-[2-(4-Benzo[1,3]dioxol-4-yl-piperidin-1-yl)-ethyl]-cyclohexyl}-2-(1-hydroxy-cyclohexyl)-acetamide

Database identifiers

PubChem CID: 60196967
ChEMBL: CHEMBL3664834

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 71 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 34
Formal charge: 0
Complexity: 651

Related reactions

1 records

New reaction record

HRID 2133736As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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