1-[1-(2-azabicyclo[2.2.2]octane-6-carbonyl)piperidin-3-yl]piperazin-2-one

C17H28N4O2 — CID 126816588

IUPAC1-[1-(2-azabicyclo[2.2.2]octane-6-carbonyl)piperidin-3-yl]piperazin-2-one
SMILESO=C(C1CC2CCC1NC2)N1CCCC(N2CCNCC2=O)C1
InChIInChI=1S/C17H28N4O2/c22-16-10-18-5-7-21(16)13-2-1-6-20(11-13)17(23)14-8-12-3-4-15(14)19-9-12/h12-15,18-19H,1-11H2
InChIKeyXORZPDYSEYRIAW-UHFFFAOYSA-N
MW320.44 g/mol
LogP-0.20
Rot. Bonds2

About 1-[1-(2-azabicyclo[2.2.2]octane-6-carbonyl)piperidin-3-yl]piperazin-2-one

1-[1-(2-azabicyclo[2.2.2]octane-6-carbonyl)piperidin-3-yl]piperazin-2-one (PubChem CID 126816588) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[1-(2-azabicyclo[2.2.2]octane-6-carbonyl)piperidin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[1-(2-azabicyclo[2.2.2]octane-6-carbonyl)piperidin-3-yl]piperazin-2-one
PubChem CID126816588
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-[1-(2-azabicyclo[2.2.2]octane-6-carbonyl)piperidin-3-yl]piperazin-2-one
SMILESO=C(C1CC2CCC1NC2)N1CCCC(N2CCNCC2=O)C1
InChIInChI=1S/C17H28N4O2/c22-16-10-18-5-7-21(16)13-2-1-6-20(11-13)17(23)14-8-12-3-4-15(14)19-9-12/h12-15,18-19H,1-11H2
InChIKeyXORZPDYSEYRIAW-UHFFFAOYSA-N
XLogP-0.20
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-azabicyclo[2.2.2]octane-6-carbonyl)piperidin-3-yl]piperazin-2-one?
The IUPAC name of 1-[1-(2-azabicyclo[2.2.2]octane-6-carbonyl)piperidin-3-yl]piperazin-2-one (CID 126816588) is 1-[1-(2-azabicyclo[2.2.2]octane-6-carbonyl)piperidin-3-yl]piperazin-2-one.
What is the SMILES notation for 1-[1-(2-azabicyclo[2.2.2]octane-6-carbonyl)piperidin-3-yl]piperazin-2-one?
The canonical SMILES for 1-[1-(2-azabicyclo[2.2.2]octane-6-carbonyl)piperidin-3-yl]piperazin-2-one is O=C(C1CC2CCC1NC2)N1CCCC(N2CCNCC2=O)C1.
What is the InChIKey of 1-[1-(2-azabicyclo[2.2.2]octane-6-carbonyl)piperidin-3-yl]piperazin-2-one?
The InChIKey is XORZPDYSEYRIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c22-16-10-18-5-7-21(16)13-2-1-6-20(11-13)17(23)14-8-12-3-4-15(14)19-9-12/h12-15,18-19H,1-11H2.
What are the key properties of 1-[1-(2-azabicyclo[2.2.2]octane-6-carbonyl)piperidin-3-yl]piperazin-2-one?
1-[1-(2-azabicyclo[2.2.2]octane-6-carbonyl)piperidin-3-yl]piperazin-2-one has a molecular weight of 320.44 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-azabicyclo[2.2.2]octane-6-carbonyl)piperidin-3-yl]piperazin-2-one is sourced from PubChem (CID 126816588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).