5-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-2-one

C12H21N3O — CID 63663308

IUPAC5-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-2-one
SMILESO=C1CCC(NC2CN3CCC2CC3)CN1
InChIInChI=1S/C12H21N3O/c16-12-2-1-10(7-13-12)14-11-8-15-5-3-9(11)4-6-15/h9-11,14H,1-8H2,(H,13,16)
InChIKeyJXKTVPIPXNOLOT-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.05
Rot. Bonds2

About 5-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-2-one

5-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-2-one (PubChem CID 63663308) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-2-one.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-2-one
PubChem CID63663308
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-2-one
SMILESO=C1CCC(NC2CN3CCC2CC3)CN1
InChIInChI=1S/C12H21N3O/c16-12-2-1-10(7-13-12)14-11-8-15-5-3-9(11)4-6-15/h9-11,14H,1-8H2,(H,13,16)
InChIKeyJXKTVPIPXNOLOT-UHFFFAOYSA-N
XLogP-0.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-2-one?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-2-one (CID 63663308) is 5-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-2-one.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-2-one?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-2-one is O=C1CCC(NC2CN3CCC2CC3)CN1.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-2-one?
The InChIKey is JXKTVPIPXNOLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c16-12-2-1-10(7-13-12)14-11-8-15-5-3-9(11)4-6-15/h9-11,14H,1-8H2,(H,13,16).
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-2-one?
5-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-2-one has a molecular weight of 223.32 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-2-one is sourced from PubChem (CID 63663308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).