1-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-(3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl-amino)-ethanone

HCID 69100486
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Basic information

Standard SMILES
O=C1COc2ccc(NCC(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc2N1
InChIKey
CXRUDBPNGCCYRL-UHFFFAOYSA-N
Molecular formula
C22H24FN3O3
Average molar mass
397.4 g/mol

Names & identifiers

Preferred name
1-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-(3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl-amino)-ethanone
IUPAC
6-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-4H-1,4-benzoxazin-3-one

Names & synonyms

SCHEMBL4577983CXRUDBPNGCCYRL-UHFFFAOYSA-N1-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-(3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl-amino)-ethanone

Database identifiers

PubChem CID
69100486

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
70.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

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