3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,6-dione

C15H24N2O3 — CID 102900133

IUPAC3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,6-dione
SMILESCC1(C)NCC(=O)N(CC2CCC3(CCCC3)O2)C1=O
InChIInChI=1S/C15H24N2O3/c1-14(2)13(19)17(12(18)9-16-14)10-11-5-8-15(20-11)6-3-4-7-15/h11,16H,3-10H2,1-2H3
InChIKeyXNRAURLNCDJMAR-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.22
Rot. Bonds2

About 3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,6-dione

3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,6-dione (PubChem CID 102900133) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,6-dione
PubChem CID102900133
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,6-dione
SMILESCC1(C)NCC(=O)N(CC2CCC3(CCCC3)O2)C1=O
InChIInChI=1S/C15H24N2O3/c1-14(2)13(19)17(12(18)9-16-14)10-11-5-8-15(20-11)6-3-4-7-15/h11,16H,3-10H2,1-2H3
InChIKeyXNRAURLNCDJMAR-UHFFFAOYSA-N
XLogP1.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,6-dione with MolForge

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

Launch Full Analysis

Related Compounds

5,5-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazolidine-2,4-dione
CID 102901153
3-ethyl-3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,5-dione
CID 102901713
6-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine-2,5-dione
CID 102901696
3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 102901716
3,3-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine-2,6-dione
CID 79619740
3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901662
2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 102900113
5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione
CID 102901058
2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901626
1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione
CID 66069806
3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one
CID 102897962
5-amino-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyridin-2-one
CID 102897974

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,6-dione (CID 102900133) is 3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,6-dione is CC1(C)NCC(=O)N(CC2CCC3(CCCC3)O2)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,6-dione?
The InChIKey is XNRAURLNCDJMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-14(2)13(19)17(12(18)9-16-14)10-11-5-8-15(20-11)6-3-4-7-15/h11,16H,3-10H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,6-dione?
3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,6-dione has a molecular weight of 280.37 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,6-dione is sourced from PubChem (CID 102900133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).