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'}

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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).