3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C15H26N3O2+ — CID 7911185

IUPAC3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CC[NH+](CN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C15H25N3O2/c1-12-5-9-17(10-6-12)11-18-13(19)15(16-14(18)20)7-3-2-4-8-15/h12H,2-11H2,1H3,(H,16,20)/p+1
InChIKeyFRUSJZBHENFJLX-UHFFFAOYSA-O
MW280.39 g/mol
LogP0.51
Rot. Bonds2

About 3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 7911185) has the molecular formula C15H26N3O2+ and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID7911185
Molecular FormulaC15H26N3O2+
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CC[NH+](CN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C15H25N3O2/c1-12-5-9-17(10-6-12)11-18-13(19)15(16-14(18)20)7-3-2-4-8-15/h12H,2-11H2,1H3,(H,16,20)/p+1
InChIKeyFRUSJZBHENFJLX-UHFFFAOYSA-O
XLogP0.51
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-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 3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 7911185) is 3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CC[NH+](CN2C(=O)NC3(CCCCC3)C2=O)CC1.
What is the InChIKey of 3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is FRUSJZBHENFJLX-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H25N3O2/c1-12-5-9-17(10-6-12)11-18-13(19)15(16-14(18)20)7-3-2-4-8-15/h12H,2-11H2,1H3,(H,16,20)/p+1.
What are the key properties of 3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 280.39 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 7911185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).