4-(oxan-4-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione

C15H22N2O4 — CID 115948147

IUPAC4-(oxan-4-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESO=C1NC(=O)C2(CCCCC2)C(=O)N1CC1CCOCC1
InChIInChI=1S/C15H22N2O4/c18-12-15(6-2-1-3-7-15)13(19)17(14(20)16-12)10-11-4-8-21-9-5-11/h11H,1-10H2,(H,16,18,20)
InChIKeyABVXIOYKKMKSKI-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.44
Rot. Bonds2

About 4-(oxan-4-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione

4-(oxan-4-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione (PubChem CID 115948147) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(oxan-4-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione.

Molecular Properties

Compound Name4-(oxan-4-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
PubChem CID115948147
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-(oxan-4-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESO=C1NC(=O)C2(CCCCC2)C(=O)N1CC1CCOCC1
InChIInChI=1S/C15H22N2O4/c18-12-15(6-2-1-3-7-15)13(19)17(14(20)16-12)10-11-4-8-21-9-5-11/h11H,1-10H2,(H,16,18,20)
InChIKeyABVXIOYKKMKSKI-UHFFFAOYSA-N
XLogP1.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The IUPAC name of 4-(oxan-4-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione (CID 115948147) is 4-(oxan-4-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione.
What is the SMILES notation for 4-(oxan-4-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The canonical SMILES for 4-(oxan-4-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione is O=C1NC(=O)C2(CCCCC2)C(=O)N1CC1CCOCC1.
What is the InChIKey of 4-(oxan-4-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The InChIKey is ABVXIOYKKMKSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-12-15(6-2-1-3-7-15)13(19)17(14(20)16-12)10-11-4-8-21-9-5-11/h11H,1-10H2,(H,16,18,20).
What are the key properties of 4-(oxan-4-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
4-(oxan-4-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione has a molecular weight of 294.35 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione is sourced from PubChem (CID 115948147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).