3,8-diazabicyclo[3.2.1]octan-3-yl(pyridin-4-yl)methanone

C12H15N3O — CID 171922173

IUPAC3,8-diazabicyclo[3.2.1]octan-3-yl(pyridin-4-yl)methanone
SMILESO=C(c1ccncc1)N1CC2CCC(C1)N2
InChIInChI=1S/C12H15N3O/c16-12(9-3-5-13-6-4-9)15-7-10-1-2-11(8-15)14-10/h3-6,10-11,14H,1-2,7-8H2
InChIKeyWNSDASBVLLZQDA-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.66
Rot. Bonds1

About 3,8-diazabicyclo[3.2.1]octan-3-yl(pyridin-4-yl)methanone

3,8-diazabicyclo[3.2.1]octan-3-yl(pyridin-4-yl)methanone (PubChem CID 171922173) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3,8-diazabicyclo[3.2.1]octan-3-yl(pyridin-4-yl)methanone.

Molecular Properties

Compound Name3,8-diazabicyclo[3.2.1]octan-3-yl(pyridin-4-yl)methanone
PubChem CID171922173
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3,8-diazabicyclo[3.2.1]octan-3-yl(pyridin-4-yl)methanone
SMILESO=C(c1ccncc1)N1CC2CCC(C1)N2
InChIInChI=1S/C12H15N3O/c16-12(9-3-5-13-6-4-9)15-7-10-1-2-11(8-15)14-10/h3-6,10-11,14H,1-2,7-8H2
InChIKeyWNSDASBVLLZQDA-UHFFFAOYSA-N
XLogP0.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone
CID 97031337
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N-pyridin-4-ylbenzenesulfonamide;dihydrochloride
CID 119639226
[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-pyridin-4-ylmethanone
CID 56864691
3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-fluorophenyl)methanone;hydrochloride
CID 86780037
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-hydroxy-3-pyridinyl)methanone
CID 115313946
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 119639120
N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide
CID 119634838
3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-methylsulfonylphenyl)methanone
CID 81485611
pyridin-4-yl-(2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 131646904
2-methyl-N-[1-(pyridine-4-carbonyl)azetidin-3-yl]propanamide
CID 167327659
[(3aR,6aR)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone
CID 97377099

Frequently Asked Questions

What is the IUPAC name of 3,8-diazabicyclo[3.2.1]octan-3-yl(pyridin-4-yl)methanone?
The IUPAC name of 3,8-diazabicyclo[3.2.1]octan-3-yl(pyridin-4-yl)methanone (CID 171922173) is 3,8-diazabicyclo[3.2.1]octan-3-yl(pyridin-4-yl)methanone.
What is the SMILES notation for 3,8-diazabicyclo[3.2.1]octan-3-yl(pyridin-4-yl)methanone?
The canonical SMILES for 3,8-diazabicyclo[3.2.1]octan-3-yl(pyridin-4-yl)methanone is O=C(c1ccncc1)N1CC2CCC(C1)N2.
What is the InChIKey of 3,8-diazabicyclo[3.2.1]octan-3-yl(pyridin-4-yl)methanone?
The InChIKey is WNSDASBVLLZQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-12(9-3-5-13-6-4-9)15-7-10-1-2-11(8-15)14-10/h3-6,10-11,14H,1-2,7-8H2.
What are the key properties of 3,8-diazabicyclo[3.2.1]octan-3-yl(pyridin-4-yl)methanone?
3,8-diazabicyclo[3.2.1]octan-3-yl(pyridin-4-yl)methanone has a molecular weight of 217.27 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diazabicyclo[3.2.1]octan-3-yl(pyridin-4-yl)methanone is sourced from PubChem (CID 171922173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).