4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione

C15H25N3O3 — CID 115947356

IUPAC4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
SMILESCC(CN1C(=O)NC(=O)C2(CCCCCC2)C1=O)N(C)C
InChIInChI=1S/C15H25N3O3/c1-11(17(2)3)10-18-13(20)15(12(19)16-14(18)21)8-6-4-5-7-9-15/h11H,4-10H2,1-3H3,(H,16,19,21)
InChIKeyZRJIIDJEDJUOHX-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.36
Rot. Bonds3

About 4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione

4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione (PubChem CID 115947356) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione.

Molecular Properties

Compound Name4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
PubChem CID115947356
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
SMILESCC(CN1C(=O)NC(=O)C2(CCCCCC2)C1=O)N(C)C
InChIInChI=1S/C15H25N3O3/c1-11(17(2)3)10-18-13(20)15(12(19)16-14(18)21)8-6-4-5-7-9-15/h11H,4-10H2,1-3H3,(H,16,19,21)
InChIKeyZRJIIDJEDJUOHX-UHFFFAOYSA-N
XLogP1.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.36
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-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione?
The IUPAC name of 4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione (CID 115947356) is 4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione.
What is the SMILES notation for 4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione?
The canonical SMILES for 4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione is CC(CN1C(=O)NC(=O)C2(CCCCCC2)C1=O)N(C)C.
What is the InChIKey of 4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione?
The InChIKey is ZRJIIDJEDJUOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11(17(2)3)10-18-13(20)15(12(19)16-14(18)21)8-6-4-5-7-9-15/h11H,4-10H2,1-3H3,(H,16,19,21).
What are the key properties of 4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione?
4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione has a molecular weight of 295.38 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione is sourced from PubChem (CID 115947356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).