4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperazine-2,6-dione

C13H21N3O2 — CID 65472441

IUPAC4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperazine-2,6-dione
SMILESCN1C2CCCC1CC(N1CC(=O)NC(=O)C1)C2
InChIInChI=1S/C13H21N3O2/c1-15-9-3-2-4-10(15)6-11(5-9)16-7-12(17)14-13(18)8-16/h9-11H,2-8H2,1H3,(H,14,17,18)
InChIKeyBMPTUTDWJWCMRA-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.04
Rot. Bonds1

About 4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperazine-2,6-dione

4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperazine-2,6-dione (PubChem CID 65472441) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperazine-2,6-dione
PubChem CID65472441
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperazine-2,6-dione
SMILESCN1C2CCCC1CC(N1CC(=O)NC(=O)C1)C2
InChIInChI=1S/C13H21N3O2/c1-15-9-3-2-4-10(15)6-11(5-9)16-7-12(17)14-13(18)8-16/h9-11H,2-8H2,1H3,(H,14,17,18)
InChIKeyBMPTUTDWJWCMRA-UHFFFAOYSA-N
XLogP-0.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperazine-2,6-dione?
The IUPAC name of 4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperazine-2,6-dione (CID 65472441) is 4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperazine-2,6-dione.
What is the SMILES notation for 4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperazine-2,6-dione?
The canonical SMILES for 4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperazine-2,6-dione is CN1C2CCCC1CC(N1CC(=O)NC(=O)C1)C2.
What is the InChIKey of 4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperazine-2,6-dione?
The InChIKey is BMPTUTDWJWCMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-15-9-3-2-4-10(15)6-11(5-9)16-7-12(17)14-13(18)8-16/h9-11H,2-8H2,1H3,(H,14,17,18).
What are the key properties of 4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperazine-2,6-dione?
4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperazine-2,6-dione has a molecular weight of 251.33 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperazine-2,6-dione is sourced from PubChem (CID 65472441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).