1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane-2,4,6-trione

C30H54N6O3 — CID 11135374

IUPAC1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane-2,4,6-trione
SMILESCC1(C)CC(n2c(=O)n(C3CC(C)(C)NC(C)(C)C3)c(=O)n(C3CC(C)(C)NC(C)(C)C3)c2=O)CC(C)(C)N1
InChIInChI=1S/C30H54N6O3/c1-25(2)13-19(14-26(3,4)31-25)34-22(37)35(20-15-27(5,6)32-28(7,8)16-20)24(39)36(23(34)38)21-17-29(9,10)33-30(11,12)18-21/h19-21,31-33H,13-18H2,1-12H3
InChIKeyBUWLWJBCDAHLKW-UHFFFAOYSA-N
MW546.80 g/mol
LogP3.62
Rot. Bonds3

About 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane-2,4,6-trione

1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 11135374) has the molecular formula C30H54N6O3 and a molecular weight of 546.80 g/mol. Its IUPAC name is 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane-2,4,6-trione
PubChem CID11135374
Molecular FormulaC30H54N6O3
Molecular Weight546.80 g/mol
Exact Mass546.43
IUPAC Name1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane-2,4,6-trione
SMILESCC1(C)CC(n2c(=O)n(C3CC(C)(C)NC(C)(C)C3)c(=O)n(C3CC(C)(C)NC(C)(C)C3)c2=O)CC(C)(C)N1
InChIInChI=1S/C30H54N6O3/c1-25(2)13-19(14-26(3,4)31-25)34-22(37)35(20-15-27(5,6)32-28(7,8)16-20)24(39)36(23(34)38)21-17-29(9,10)33-30(11,12)18-21/h19-21,31-33H,13-18H2,1-12H3
InChIKeyBUWLWJBCDAHLKW-UHFFFAOYSA-N
XLogP3.62
TPSA102.09 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.80
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane-2,4,6-trione 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 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane-2,4,6-trione (CID 11135374) is 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane-2,4,6-trione is CC1(C)CC(n2c(=O)n(C3CC(C)(C)NC(C)(C)C3)c(=O)n(C3CC(C)(C)NC(C)(C)C3)c2=O)CC(C)(C)N1.
What is the InChIKey of 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is BUWLWJBCDAHLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54N6O3/c1-25(2)13-19(14-26(3,4)31-25)34-22(37)35(20-15-27(5,6)32-28(7,8)16-20)24(39)36(23(34)38)21-17-29(9,10)33-30(11,12)18-21/h19-21,31-33H,13-18H2,1-12H3.
What are the key properties of 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 546.80 g/mol, XLogP of 3.62, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 11135374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).