Benzyl (cis)-6-(3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate

HCID 23635909

Basic information

Standard SMILES
O=C(OCc1ccccc1)N1C[C@@H]2CN(c3cccnc3)[C@@H]2C1
InChIKey
JUZMKGYDAATEET-NVXWUHKLSA-N
Molecular formula
C18H19N3O2
Average molar mass
309.4 g/mol

Names & identifiers

Preferred name
Benzyl (cis)-6-(3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate
IUPAC
benzyl (1S,5S)-6-pyridin-3-yl-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate

Names & synonyms

SCHEMBL651154JUZMKGYDAATEET-NVXWUHKLSA-Nbenzyl (1S,5S)-6-(3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylatebenzyl (cis)-6-(3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate

Database identifiers

PubChem CID
23635909

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
45.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
23

Related reactions

9 records

Compound notes

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