1-[(5,5-dimethyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

C16H26N2O3 — CID 116524861

IUPAC1-[(5,5-dimethyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1(C)CCC(CN2C(=O)CNC(=O)C23CCCCC3)O1
InChIInChI=1S/C16H26N2O3/c1-15(2)9-6-12(21-15)11-18-13(19)10-17-14(20)16(18)7-4-3-5-8-16/h12H,3-11H2,1-2H3,(H,17,20)
InChIKeyQPXUAUZMQOHIPX-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.61
Rot. Bonds2

About 1-[(5,5-dimethyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

1-[(5,5-dimethyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 116524861) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[(5,5-dimethyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name1-[(5,5-dimethyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID116524861
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[(5,5-dimethyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1(C)CCC(CN2C(=O)CNC(=O)C23CCCCC3)O1
InChIInChI=1S/C16H26N2O3/c1-15(2)9-6-12(21-15)11-18-13(19)10-17-14(20)16(18)7-4-3-5-8-16/h12H,3-11H2,1-2H3,(H,17,20)
InChIKeyQPXUAUZMQOHIPX-UHFFFAOYSA-N
XLogP1.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5,5-dimethyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-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 1-[(5,5-dimethyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 116524861) is 1-[(5,5-dimethyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 1-[(5,5-dimethyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 1-[(5,5-dimethyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is CC1(C)CCC(CN2C(=O)CNC(=O)C23CCCCC3)O1.
What is the InChIKey of 1-[(5,5-dimethyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is QPXUAUZMQOHIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-15(2)9-6-12(21-15)11-18-13(19)10-17-14(20)16(18)7-4-3-5-8-16/h12H,3-11H2,1-2H3,(H,17,20).
What are the key properties of 1-[(5,5-dimethyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
1-[(5,5-dimethyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 294.39 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 116524861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).