8-azabicyclo[3.2.1]octan-3-one;piperidin-4-one

C12H20N2O2 — CID 69152524

IUPAC8-azabicyclo[3.2.1]octan-3-one;piperidin-4-one
SMILESO=C1CC2CCC(C1)N2.O=C1CCNCC1
InChIInChI=1S/C7H11NO.C5H9NO/c9-7-3-5-1-2-6(4-7)8-5;7-5-1-3-6-4-2-5/h5-6,8H,1-4H2;6H,1-4H2
InChIKeyXKNBLMZRASJCPQ-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.41
Rot. Bonds

About 8-azabicyclo[3.2.1]octan-3-one;piperidin-4-one

8-azabicyclo[3.2.1]octan-3-one;piperidin-4-one (PubChem CID 69152524) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-one;piperidin-4-one.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-one;piperidin-4-one
PubChem CID69152524
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name8-azabicyclo[3.2.1]octan-3-one;piperidin-4-one
SMILESO=C1CC2CCC(C1)N2.O=C1CCNCC1
InChIInChI=1S/C7H11NO.C5H9NO/c9-7-3-5-1-2-6(4-7)8-5;7-5-1-3-6-4-2-5/h5-6,8H,1-4H2;6H,1-4H2
InChIKeyXKNBLMZRASJCPQ-UHFFFAOYSA-N
XLogP0.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-one;piperidin-4-one?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-one;piperidin-4-one (CID 69152524) is 8-azabicyclo[3.2.1]octan-3-one;piperidin-4-one.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-one;piperidin-4-one?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-one;piperidin-4-one is O=C1CC2CCC(C1)N2.O=C1CCNCC1.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-one;piperidin-4-one?
The InChIKey is XKNBLMZRASJCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C5H9NO/c9-7-3-5-1-2-6(4-7)8-5;7-5-1-3-6-4-2-5/h5-6,8H,1-4H2;6H,1-4H2.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-one;piperidin-4-one?
8-azabicyclo[3.2.1]octan-3-one;piperidin-4-one has a molecular weight of 224.30 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-one;piperidin-4-one is sourced from PubChem (CID 69152524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).