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

C14H18N2O — CID 171945188

IUPAC1-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H18N2O/c17-14(7-10-3-5-15-6-4-10)11-8-12-1-2-13(9-11)16-12/h3-6,11-13,16H,1-2,7-9H2
InChIKeySCCJREKVDOOKGD-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.72
Rot. Bonds3

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

1-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanone (PubChem CID 171945188) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanone
PubChem CID171945188
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H18N2O/c17-14(7-10-3-5-15-6-4-10)11-8-12-1-2-13(9-11)16-12/h3-6,11-13,16H,1-2,7-9H2
InChIKeySCCJREKVDOOKGD-UHFFFAOYSA-N
XLogP1.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-pyridin-4-ylethanone
CID 171945206
1-cyclopentyl-2-pyridin-4-ylethanone
CID 62551395
2-pyridin-4-yl-1-(9-thiabicyclo[3.3.1]nonan-3-yl)ethanone
CID 171945203
1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone
CID 116587341
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone
CID 171944857
1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-pyridin-4-ylethanone
CID 58040940
1-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 171949909
3-[2-(9-azabicyclo[3.3.1]nonan-3-yl)-2-oxoethyl]benzonitrile
CID 171946443
3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 66754415
benzyl 3-(2-pyridin-4-ylacetyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171945202
8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone
CID 171941830
3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride
CID 77226760

Frequently Asked Questions

What is the IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanone (CID 171945188) is 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanone is O=C(Cc1ccncc1)C1CC2CCC(C1)N2.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanone?
The InChIKey is SCCJREKVDOOKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14(7-10-3-5-15-6-4-10)11-8-12-1-2-13(9-11)16-12/h3-6,11-13,16H,1-2,7-9H2.
What are the key properties of 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanone?
1-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanone has a molecular weight of 230.31 g/mol, XLogP of 1.72, 3 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)-2-pyridin-4-ylethanone is sourced from PubChem (CID 171945188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).