4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C15H24N2O3 — CID 64878807

IUPAC4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(CC2CCCCO2)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C15H24N2O3/c18-13-11-17(10-12-6-2-5-9-20-12)14(19)15(16-13)7-3-1-4-8-15/h12H,1-11H2,(H,16,18)
InChIKeyBERGGNQWHZEQJL-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.22
Rot. Bonds2

About 4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64878807) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64878807
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(CC2CCCCO2)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C15H24N2O3/c18-13-11-17(10-12-6-2-5-9-20-12)14(19)15(16-13)7-3-1-4-8-15/h12H,1-11H2,(H,16,18)
InChIKeyBERGGNQWHZEQJL-UHFFFAOYSA-N
XLogP1.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
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 ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64878807) is 4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is O=C1CN(CC2CCCCO2)C(=O)C2(CCCCC2)N1.
What is the InChIKey of 4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is BERGGNQWHZEQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c18-13-11-17(10-12-6-2-5-9-20-12)14(19)15(16-13)7-3-1-4-8-15/h12H,1-11H2,(H,16,18).
What are the key properties of 4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 280.37 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64878807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).