3-(1-butanoylpiperidin-4-yl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C17H28N4O3 — CID 110084133

IUPAC3-(1-butanoylpiperidin-4-yl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCC(=O)N1CCC(N2C(=O)NC3(CCN(C)CC3)C2=O)CC1
InChIInChI=1S/C17H28N4O3/c1-3-4-14(22)20-9-5-13(6-10-20)21-15(23)17(18-16(21)24)7-11-19(2)12-8-17/h13H,3-12H2,1-2H3,(H,18,24)
InChIKeyWPJQBNMZMAAAKH-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.79
Rot. Bonds3

About 3-(1-butanoylpiperidin-4-yl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-(1-butanoylpiperidin-4-yl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 110084133) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(1-butanoylpiperidin-4-yl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(1-butanoylpiperidin-4-yl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID110084133
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name3-(1-butanoylpiperidin-4-yl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCC(=O)N1CCC(N2C(=O)NC3(CCN(C)CC3)C2=O)CC1
InChIInChI=1S/C17H28N4O3/c1-3-4-14(22)20-9-5-13(6-10-20)21-15(23)17(18-16(21)24)7-11-19(2)12-8-17/h13H,3-12H2,1-2H3,(H,18,24)
InChIKeyWPJQBNMZMAAAKH-UHFFFAOYSA-N
XLogP0.79
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(1-butanoylpiperidin-4-yl)-8-methyl-1,3,8-triazaspiro[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-(1-butanoylpiperidin-4-yl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(1-butanoylpiperidin-4-yl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 110084133) is 3-(1-butanoylpiperidin-4-yl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(1-butanoylpiperidin-4-yl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(1-butanoylpiperidin-4-yl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCC(=O)N1CCC(N2C(=O)NC3(CCN(C)CC3)C2=O)CC1.
What is the InChIKey of 3-(1-butanoylpiperidin-4-yl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is WPJQBNMZMAAAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-3-4-14(22)20-9-5-13(6-10-20)21-15(23)17(18-16(21)24)7-11-19(2)12-8-17/h13H,3-12H2,1-2H3,(H,18,24).
What are the key properties of 3-(1-butanoylpiperidin-4-yl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-(1-butanoylpiperidin-4-yl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 336.44 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butanoylpiperidin-4-yl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 110084133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).