1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-2-ylpropan-2-one

C15H20N2O — CID 116588427

IUPAC1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-2-ylpropan-2-one
SMILESO=C(Cc1ccccn1)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H20N2O/c18-15(10-12-3-1-2-6-16-12)9-11-7-13-4-5-14(8-11)17-13/h1-3,6,11,13-14,17H,4-5,7-10H2
InChIKeyRGMNQYVGINJJSL-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.11
Rot. Bonds4

About 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-2-ylpropan-2-one

1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-2-ylpropan-2-one (PubChem CID 116588427) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-2-ylpropan-2-one
PubChem CID116588427
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-2-ylpropan-2-one
SMILESO=C(Cc1ccccn1)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H20N2O/c18-15(10-12-3-1-2-6-16-12)9-11-7-13-4-5-14(8-11)17-13/h1-3,6,11,13-14,17H,4-5,7-10H2
InChIKeyRGMNQYVGINJJSL-UHFFFAOYSA-N
XLogP2.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 79608018
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylacetamide
CID 61233111
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119868601
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-difluorophenyl)propan-2-one
CID 116588445
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
1-cyclohexyl-4-pyridin-2-ylbutan-2-one
CID 105089148
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-pyridin-2-ylpropan-2-one
CID 66417796
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride
CID 119854577
1-morpholin-3-yl-3-pyridin-2-ylpropan-2-one
CID 116595828
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 116588403
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide
CID 119850358
1-[(3S)-1-methylpyrrolidin-3-yl]-4-pyridin-2-ylbutan-2-one
CID 58032898

Frequently Asked Questions

What is the IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-2-ylpropan-2-one?
The IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-2-ylpropan-2-one (CID 116588427) is 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-2-ylpropan-2-one.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-2-ylpropan-2-one?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-2-ylpropan-2-one is O=C(Cc1ccccn1)CC1CC2CCC(C1)N2.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-2-ylpropan-2-one?
The InChIKey is RGMNQYVGINJJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-15(10-12-3-1-2-6-16-12)9-11-7-13-4-5-14(8-11)17-13/h1-3,6,11,13-14,17H,4-5,7-10H2.
What are the key properties of 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-2-ylpropan-2-one?
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-2-ylpropan-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-2-ylpropan-2-one is sourced from PubChem (CID 116588427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).