3-(1-azaspiro[5.5]undecan-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione

C16H24N2O3 — CID 102690166

IUPAC3-(1-azaspiro[5.5]undecan-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESO=C1C2CCC(O2)C(=O)N1C1CCNC2(CCCCC2)C1
InChIInChI=1S/C16H24N2O3/c19-14-12-4-5-13(21-12)15(20)18(14)11-6-9-17-16(10-11)7-2-1-3-8-16/h11-13,17H,1-10H2
InChIKeyXRAZRBMIJOVQQL-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.36
Rot. Bonds1

About 3-(1-azaspiro[5.5]undecan-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione

3-(1-azaspiro[5.5]undecan-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione (PubChem CID 102690166) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(1-azaspiro[5.5]undecan-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione.

Molecular Properties

Compound Name3-(1-azaspiro[5.5]undecan-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
PubChem CID102690166
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(1-azaspiro[5.5]undecan-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESO=C1C2CCC(O2)C(=O)N1C1CCNC2(CCCCC2)C1
InChIInChI=1S/C16H24N2O3/c19-14-12-4-5-13(21-12)15(20)18(14)11-6-9-17-16(10-11)7-2-1-3-8-16/h11-13,17H,1-10H2
InChIKeyXRAZRBMIJOVQQL-UHFFFAOYSA-N
XLogP1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(1-azaspiro[5.5]undecan-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione 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 3-(1-azaspiro[5.5]undecan-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
The IUPAC name of 3-(1-azaspiro[5.5]undecan-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione (CID 102690166) is 3-(1-azaspiro[5.5]undecan-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione.
What is the SMILES notation for 3-(1-azaspiro[5.5]undecan-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
The canonical SMILES for 3-(1-azaspiro[5.5]undecan-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione is O=C1C2CCC(O2)C(=O)N1C1CCNC2(CCCCC2)C1.
What is the InChIKey of 3-(1-azaspiro[5.5]undecan-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
The InChIKey is XRAZRBMIJOVQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-14-12-4-5-13(21-12)15(20)18(14)11-6-9-17-16(10-11)7-2-1-3-8-16/h11-13,17H,1-10H2.
What are the key properties of 3-(1-azaspiro[5.5]undecan-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
3-(1-azaspiro[5.5]undecan-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione has a molecular weight of 292.38 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azaspiro[5.5]undecan-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione is sourced from PubChem (CID 102690166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).