benzyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate

C20H22N2O3 — CID 121186589

IUPACbenzyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(OCc1ccccc1)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C20H22N2O3/c23-20(24-14-15-4-2-1-3-5-15)22-16-6-7-17(22)13-19(12-16)25-18-8-10-21-11-9-18/h1-5,8-11,16-17,19H,6-7,12-14H2
InChIKeyKZGYIQVJLPRCJB-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.79
Rot. Bonds4

About benzyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate

benzyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 121186589) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is benzyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Namebenzyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID121186589
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namebenzyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(OCc1ccccc1)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C20H22N2O3/c23-20(24-14-15-4-2-1-3-5-15)22-16-6-7-17(22)13-19(12-16)25-18-8-10-21-11-9-18/h1-5,8-11,16-17,19H,6-7,12-14H2
InChIKeyKZGYIQVJLPRCJB-UHFFFAOYSA-N
XLogP3.79
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121186336
benzyl (1S,5R)-3-[(pyridin-4-ylamino)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 69414258
benzyl 3-(2-pyridin-4-ylacetyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171945202
2-phenoxy-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121186339
3,3-diphenyl-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121186525
benzyl (1S,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 98043315
N-[2-oxo-2-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzamide
CID 121186509
benzyl 3-(bromomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171937053
3-phenyl-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
CID 121186650
1-phenyl-5-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pentane-1,5-dione
CID 121186423
benzyl (1S,2S,4R)-2-hydroxy-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 10610494
benzyl (1R,5R)-3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 98043320

Frequently Asked Questions

What is the IUPAC name of benzyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of benzyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 121186589) is benzyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for benzyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for benzyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate is O=C(OCc1ccccc1)N1C2CCC1CC(Oc1ccncc1)C2.
What is the InChIKey of benzyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is KZGYIQVJLPRCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-20(24-14-15-4-2-1-3-5-15)22-16-6-7-17(22)13-19(12-16)25-18-8-10-21-11-9-18/h1-5,8-11,16-17,19H,6-7,12-14H2.
What are the key properties of benzyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
benzyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 121186589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).