4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperazin-2-one

C11H19N3O — CID 97359050

IUPAC4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperazin-2-one
SMILESO=C1CN(C2C[C@H]3CC[C@@H](C2)N3)CCN1
InChIInChI=1S/C11H19N3O/c15-11-7-14(4-3-12-11)10-5-8-1-2-9(6-10)13-8/h8-10,13H,1-7H2,(H,12,15)/t8-,9+,10?
InChIKeyCZMOSHXEACWMRH-ULKQDVFKSA-N
MW209.29 g/mol
LogP-0.30
Rot. Bonds1

About 4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperazin-2-one

4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperazin-2-one (PubChem CID 97359050) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperazin-2-one
PubChem CID97359050
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperazin-2-one
SMILESO=C1CN(C2C[C@H]3CC[C@@H](C2)N3)CCN1
InChIInChI=1S/C11H19N3O/c15-11-7-14(4-3-12-11)10-5-8-1-2-9(6-10)13-8/h8-10,13H,1-7H2,(H,12,15)/t8-,9+,10?
InChIKeyCZMOSHXEACWMRH-ULKQDVFKSA-N
XLogP-0.30
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperazin-2-one?
The IUPAC name of 4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperazin-2-one (CID 97359050) is 4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperazin-2-one.
What is the SMILES notation for 4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperazin-2-one?
The canonical SMILES for 4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperazin-2-one is O=C1CN(C2C[C@H]3CC[C@@H](C2)N3)CCN1.
What is the InChIKey of 4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperazin-2-one?
The InChIKey is CZMOSHXEACWMRH-ULKQDVFKSA-N. The full InChI is InChI=1S/C11H19N3O/c15-11-7-14(4-3-12-11)10-5-8-1-2-9(6-10)13-8/h8-10,13H,1-7H2,(H,12,15)/t8-,9+,10?.
What are the key properties of 4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperazin-2-one?
4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperazin-2-one has a molecular weight of 209.29 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperazin-2-one is sourced from PubChem (CID 97359050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).