3-(2-ethoxyphenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

C23H28N2O3 — CID 121186439

IUPAC3-(2-ethoxyphenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
SMILESCCOc1ccccc1CCC(=O)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C23H28N2O3/c1-2-27-22-6-4-3-5-17(22)7-10-23(26)25-18-8-9-19(25)16-21(15-18)28-20-11-13-24-14-12-20/h3-6,11-14,18-19,21H,2,7-10,15-16H2,1H3
InChIKeyBDHOIULAZCCJJP-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.01
Rot. Bonds7

About 3-(2-ethoxyphenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

3-(2-ethoxyphenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one (PubChem CID 121186439) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
PubChem CID121186439
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-(2-ethoxyphenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
SMILESCCOc1ccccc1CCC(=O)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C23H28N2O3/c1-2-27-22-6-4-3-5-17(22)7-10-23(26)25-18-8-9-19(25)16-21(15-18)28-20-11-13-24-14-12-20/h3-6,11-14,18-19,21H,2,7-10,15-16H2,1H3
InChIKeyBDHOIULAZCCJJP-UHFFFAOYSA-N
XLogP4.01
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-ethoxyphenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one with MolForge

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Related Compounds

3-(2-bromophenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 119103755
3-(2-fluorophenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121186440
3-phenyl-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121186336
1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-3-(2,3,4-trimethoxyphenyl)propan-1-one
CID 121186445
2-phenoxy-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121186339
1-phenyl-5-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pentane-1,5-dione
CID 121186423
3,3-diphenyl-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121186525
3-phenyl-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
CID 121186650
2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 119103733
1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone
CID 121186331
2-(4-ethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185912
N-[2-oxo-2-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzamide
CID 121186509

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The IUPAC name of 3-(2-ethoxyphenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one (CID 121186439) is 3-(2-ethoxyphenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one.
What is the SMILES notation for 3-(2-ethoxyphenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The canonical SMILES for 3-(2-ethoxyphenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one is CCOc1ccccc1CCC(=O)N1C2CCC1CC(Oc1ccncc1)C2.
What is the InChIKey of 3-(2-ethoxyphenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The InChIKey is BDHOIULAZCCJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-2-27-22-6-4-3-5-17(22)7-10-23(26)25-18-8-9-19(25)16-21(15-18)28-20-11-13-24-14-12-20/h3-6,11-14,18-19,21H,2,7-10,15-16H2,1H3.
What are the key properties of 3-(2-ethoxyphenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
3-(2-ethoxyphenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one has a molecular weight of 380.49 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one is sourced from PubChem (CID 121186439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).