phenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate

C19H20N2O3 — CID 129357029

IUPACphenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(Oc1ccccc1)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2
InChIInChI=1S/C19H20N2O3/c22-19(24-16-5-2-1-3-6-16)21-14-8-9-15(21)12-18(11-14)23-17-7-4-10-20-13-17/h1-7,10,13-15,18H,8-9,11-12H2/t14-,15-/m0/s1
InChIKeyLILDFRFLYWXAAU-GJZGRUSLSA-N
MW324.38 g/mol
LogP3.65
Rot. Bonds3

About phenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate

phenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 129357029) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is phenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Namephenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID129357029
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namephenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(Oc1ccccc1)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2
InChIInChI=1S/C19H20N2O3/c22-19(24-16-5-2-1-3-6-16)21-14-8-9-15(21)12-18(11-14)23-17-7-4-10-20-13-17/h1-7,10,13-15,18H,8-9,11-12H2/t14-,15-/m0/s1
InChIKeyLILDFRFLYWXAAU-GJZGRUSLSA-N
XLogP3.65
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121185862
(4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121185870
(4-bromophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186056
furan-3-yl-[(1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129357635
1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone
CID 121186032
(4-methylpiperazin-1-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186145
(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 119103729
1H-indol-3-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186064
2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 119103733
N-(oxan-4-yl)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186213
2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185901
3,4-dihydro-2H-chromen-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186166

Frequently Asked Questions

What is the IUPAC name of phenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of phenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 129357029) is phenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for phenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for phenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate is O=C(Oc1ccccc1)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2.
What is the InChIKey of phenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is LILDFRFLYWXAAU-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-19(24-16-5-2-1-3-6-16)21-14-8-9-15(21)12-18(11-14)23-17-7-4-10-20-13-17/h1-7,10,13-15,18H,8-9,11-12H2/t14-,15-/m0/s1.
What are the key properties of phenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
phenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 129357029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).