1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone

C18H20N2O2S — CID 121186331

IUPAC1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C18H20N2O2S/c21-18(12-17-2-1-9-23-17)20-13-3-4-14(20)11-16(10-13)22-15-5-7-19-8-6-15/h1-2,5-9,13-14,16H,3-4,10-12H2
InChIKeyDORCPUXSHXGDCR-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.29
Rot. Bonds4

About 1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone

1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone (PubChem CID 121186331) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone
PubChem CID121186331
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C18H20N2O2S/c21-18(12-17-2-1-9-23-17)20-13-3-4-14(20)11-16(10-13)22-15-5-7-19-8-6-15/h1-2,5-9,13-14,16H,3-4,10-12H2
InChIKeyDORCPUXSHXGDCR-UHFFFAOYSA-N
XLogP3.29
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone with MolForge

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Related Compounds

2-((4-fluorophenyl)thio)-1-((1R,5S)-3-(pyridin-4-yloxy)-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121186388
(5-fluorobenzo[b]thiophen-2-yl)((1R,5S)-3-(pyridin-4-yloxy)-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186456
2-((4-fluorophenyl)thio)-1-((1R,3s,5S)-3-(pyridin-2-yloxy)-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121195341
(4-(Pyridin-2-yloxy)piperidin-1-yl)(1-(thiophen-2-yl)cyclopentyl)methanone
CID 71798644
[(3S,3aR,7aS)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-thiophen-2-ylmethanone
CID 125219265
4-[(1-{[5-(Tetrahydro-2-furanyl)-2-thienyl]carbonyl}-4-piperidinyl)oxy]pyridine
CID 72842150
1-(4-(Pyridin-3-yloxy)piperidin-1-yl)-2-(thiophen-2-yl)ethanone
CID 90566020
1-(4-((6-Methylpyridin-3-yl)oxy)piperidin-1-yl)-2-(thiophen-2-yl)ethanone
CID 90566395
(4-(Pyridin-4-yloxy)-[1,4'-bipiperidin]-1'-yl)(thiophen-2-yl)methanone
CID 90617092
(4-(Pyridin-4-yloxy)-[1,4'-bipiperidin]-1'-yl)(thiophen-3-yl)methanone
CID 90617093
(4-Methylthiophen-2-yl)(4-(pyridin-4-yloxy)-[1,4'-bipiperidin]-1'-yl)methanone
CID 90617100
1-(4-(Pyridin-4-yloxy)-[1,4'-bipiperidin]-1'-yl)-2-(thiophen-2-yl)ethanone
CID 90617101

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone (CID 121186331) is 1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1C2CCC1CC(Oc1ccncc1)C2.
What is the InChIKey of 1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone?
The InChIKey is DORCPUXSHXGDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-18(12-17-2-1-9-23-17)20-13-3-4-14(20)11-16(10-13)22-15-5-7-19-8-6-15/h1-2,5-9,13-14,16H,3-4,10-12H2.
What are the key properties of 1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone?
1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone has a molecular weight of 328.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 121186331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).