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N-(3-{1-[5-(3-fluorophenyl)-5-hydroxypentyl)-4-piperidinyl}phenyl)-2-methylpropanamide

HCID 22048596
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)C(=O)Nc1cccc(C2CCN(CCCCC(O)c3cccc(F)c3)CC2)c1
InChIKey
KQLFZDMXKJFYKU-UHFFFAOYSA-N
Molecular formula
C26H35FN2O2
Average molar mass
426.6 g/mol

Names & identifiers

Preferred name
N-(3-{1-[5-(3-fluorophenyl)-5-hydroxypentyl)-4-piperidinyl}phenyl)-2-methylpropanamide
IUPAC
N-[3-[1-[5-(3-fluorophenyl)-5-hydroxypentyl]piperidin-4-yl]phenyl]-2-methylpropanamide

Names & synonyms

N-(3-{1-[5-(3-fluorophenyl)-5-hydroxypentyl)-4-piperidinyl}phenyl)-2-methylpropanamideN-(3-{1-[5-(3-fluorophenyl)-5-hydroxypentyl]-4-piperidinyl}phenyl)-2-methylpropanamideSCHEMBL5661965KQLFZDMXKJFYKU-UHFFFAOYSA-N

Database identifiers

PubChem CID
22048596

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
52.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
31
Formal charge
0
Complexity
536

Related reactions

3 records
New reaction record
HRID 303081 reaction equation
HRID 303081As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1833085 reaction equation
HRID 1833085As reactantuspto-grants-2006_06
HRID 2088072 reaction equation
HRID 2088072As reactantuspto-grants-2004_04

Compound notes

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