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N-{3-[1-(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)-4-piperidinyl]phenyl}-2-methylpropanamide

HCID 22049436
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1
InChIKey
ODWFKINHYASBMC-UHFFFAOYSA-N
Molecular formula
C24H30N2O3
Average molar mass
394.5 g/mol

Names & identifiers

Preferred name
N-{3-[1-(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)-4-piperidinyl]phenyl}-2-methylpropanamide
IUPAC
N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]phenyl]-2-methylpropanamide

Names & synonyms

SCHEMBL5662699ODWFKINHYASBMC-UHFFFAOYSA-NN-{3-[1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLMETHYL)-4-PIPERIDINYL]PHENYL}-2-METHYLPROPANAMIDE

Database identifiers

PubChem CID
22049436

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
50.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Formal charge
0
Complexity
532

Related reactions

3 records
New reaction record
HRID 95573 reaction equation
HRID 95573As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1832376 reaction equation
HRID 1832376As productuspto-grants-2006_06
HRID 2087365 reaction equation
HRID 2087365As productuspto-grants-2004_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes