(2R)-2-(2-fluorophenoxy)-1-[(1S,5S)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one

C21H23FN2O3 — CID 129416472

IUPAC(2R)-2-(2-fluorophenoxy)-1-[(1S,5S)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one
SMILESC[C@@H](Oc1ccccc1F)C(=O)N1[C@H]2CC[C@H]1CC(Oc1ccncc1)C2
InChIInChI=1S/C21H23FN2O3/c1-14(26-20-5-3-2-4-19(20)22)21(25)24-15-6-7-16(24)13-18(12-15)27-17-8-10-23-11-9-17/h2-5,8-11,14-16,18H,6-7,12-13H2,1H3/t14-,15+,16+/m1/s1
InChIKeyDEWFQCHGVDFSGS-PMPSAXMXSA-N
MW370.42 g/mol
LogP3.59
Rot. Bonds5

About (2R)-2-(2-fluorophenoxy)-1-[(1S,5S)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one

(2R)-2-(2-fluorophenoxy)-1-[(1S,5S)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one (PubChem CID 129416472) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenoxy)-1-[(1S,5S)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenoxy)-1-[(1S,5S)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one
PubChem CID129416472
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name(2R)-2-(2-fluorophenoxy)-1-[(1S,5S)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one
SMILESC[C@@H](Oc1ccccc1F)C(=O)N1[C@H]2CC[C@H]1CC(Oc1ccncc1)C2
InChIInChI=1S/C21H23FN2O3/c1-14(26-20-5-3-2-4-19(20)22)21(25)24-15-6-7-16(24)13-18(12-15)27-17-8-10-23-11-9-17/h2-5,8-11,14-16,18H,6-7,12-13H2,1H3/t14-,15+,16+/m1/s1
InChIKeyDEWFQCHGVDFSGS-PMPSAXMXSA-N
XLogP3.59
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(2-fluorophenoxy)-1-[(1S,5S)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenoxy)-1-[(1S,5S)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one?
The IUPAC name of (2R)-2-(2-fluorophenoxy)-1-[(1S,5S)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one (CID 129416472) is (2R)-2-(2-fluorophenoxy)-1-[(1S,5S)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(2-fluorophenoxy)-1-[(1S,5S)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one?
The canonical SMILES for (2R)-2-(2-fluorophenoxy)-1-[(1S,5S)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one is C[C@@H](Oc1ccccc1F)C(=O)N1[C@H]2CC[C@H]1CC(Oc1ccncc1)C2.
What is the InChIKey of (2R)-2-(2-fluorophenoxy)-1-[(1S,5S)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one?
The InChIKey is DEWFQCHGVDFSGS-PMPSAXMXSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-14(26-20-5-3-2-4-19(20)22)21(25)24-15-6-7-16(24)13-18(12-15)27-17-8-10-23-11-9-17/h2-5,8-11,14-16,18H,6-7,12-13H2,1H3/t14-,15+,16+/m1/s1.
What are the key properties of (2R)-2-(2-fluorophenoxy)-1-[(1S,5S)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one?
(2R)-2-(2-fluorophenoxy)-1-[(1S,5S)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one has a molecular weight of 370.42 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenoxy)-1-[(1S,5S)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one is sourced from PubChem (CID 129416472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).