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6-(4-Biphenylylmethoxy)-N-(2-piperidinoethyl)nicotinamide

HCID 18508344
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Basic information

Standard SMILES
O=C(NCCN1CCCCC1)c1ccc(OCc2ccc(-c3ccccc3)cc2)nc1
InChIKey
ZVBBIUWNFZUEBD-UHFFFAOYSA-N
Molecular formula
C26H29N3O2
Average molar mass
415.5 g/mol

Names & identifiers

Preferred name
6-(4-Biphenylylmethoxy)-N-(2-piperidinoethyl)nicotinamide
IUPAC
6-[(4-phenylphenyl)methoxy]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

Names & synonyms

SCHEMBL7229518ZVBBIUWNFZUEBD-UHFFFAOYSA-N6-(4-Biphenylylmethoxy)-N-(2-piperidinoethyl)nicotinamide

Database identifiers

PubChem CID
18508344

Properties

Computed structural propertiesFilling in

XLogP
4.4
Topological polar surface area
54.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
31
Formal charge
0
Complexity
523

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Related reactions

2 records
New reaction record
HRID 312578 reaction equation
HRID 312578As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1356468 reaction equation
HRID 1356468As productuspto-grants-2003_07

Compound notes

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