trans-(RS)-N-(4-{2-[4-(2,3-Dihydro-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-3,3,3-trifluoro-2-hydroxy-propionamide

HCID 54771512

Notes Reactions

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Basic information

Standard SMILES: O=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C(O)C(F)(F)F
InChIKey: PMYFBYDQSGEVHT-UHFFFAOYSA-N
Molecular formula: C22H31F3N4O3
Average molar mass: 456.5 g/mol
Monoisotopic mass: 456.23482535

Names & identifiers

Preferred name: trans-(RS)-N-(4-{2-[4-(2,3-Dihydro-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-3,3,3-trifluoro-2-hydroxy-propionamide
IUPAC: N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoro-2-hydroxypropanamide

Names & synonyms

trans-(RS)-N-(4-{2-[4-(2,3-Dihydro-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-3,3,3-trifluoro-2-hydroxy-propionamideCHEMBL3642788SCHEMBL12073738SCHEMBL15385234PMYFBYDQSGEVHT-UHFFFAOYSA-NBDBM106523

Database identifiers

PubChem CID: 54771512
ChEMBL: CHEMBL3642788

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 77.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 6
Heavy atoms: 32
Formal charge: 0
Complexity: 622

Related reactions

1 records

New reaction record

HRID 691611As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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