5-[2-(4-(4-Phenoxyphenyl)piperidin-1-yl)acetylamino]-2,3,4,5-tetrahydro-1-benzoxepine

HCID 19694253
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Basic information

Standard SMILES
O=C(CN1CCC(c2ccc(Oc3ccccc3)cc2)CC1)NC1CCCOc2ccccc21
InChIKey
YKDUADXGUGRRKD-UHFFFAOYSA-N
Molecular formula
C29H32N2O3
Average molar mass
456.6 g/mol

Names & identifiers

Preferred name
5-[2-(4-(4-Phenoxyphenyl)piperidin-1-yl)acetylamino]-2,3,4,5-tetrahydro-1-benzoxepine
IUPAC
2-[4-(4-phenoxyphenyl)piperidin-1-yl]-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide

Names & synonyms

SCHEMBL7468358YKDUADXGUGRRKD-UHFFFAOYSA-N5-[2-(4-(4-phenoxyphenyl)piperidin-1-yl)acetylamino]-2,3,4,5-tetrahydro-1-benzoxepine

Database identifiers

PubChem CID
19694253

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
50.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
34

Related reactions

2 records
New reaction record

Linked notes

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