1-Hydroxy-cyclohexanecarboxylic acid-trans-N-{4-[2-(4-benzo[1,3]dioxol-4-yl-piperidin-1-yl)-ethyl]-cyclohexyl}-amide

HCID 60197673
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Basic information

Standard SMILES
O=C(NC1CCC(CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C1(O)CCCCC1
InChIKey
IHPMTTUHDSGUHU-UHFFFAOYSA-N
Molecular formula
C27H40N2O4
Average molar mass
456.6 g/mol

Names & identifiers

Preferred name
1-Hydroxy-cyclohexanecarboxylic acid-trans-N-{4-[2-(4-benzo[1,3]dioxol-4-yl-piperidin-1-yl)-ethyl]-cyclohexyl}-amide
IUPAC
N-[4-[2-[4-(1,3-benzodioxol-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclohexane-1-carboxamide

Names & synonyms

CHEMBL3664878SCHEMBL12080626IHPMTTUHDSGUHU-AQYVVDRMSA-NBDBM107563US8598357, 661-Hydroxy-cyclohexanecarboxylic acid-trans-N-{4-[2-(4-benzo[1,3]dioxol-4-yl-piperidin-1-yl)-ethyl]-cyclohexyl}-amide

Database identifiers

PubChem CID
60197673
ChEMBL
CHEMBL3664878

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
71 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
33

Related reactions

1 records
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Compound notes

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