N-(2,2,6,6-tetramethylpiperidin-4-yl)-5-[2,4,6-trioxo-3,5-bis[5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-1,3,5-triazinan-1-yl]pentanamide

C45H81N9O6 — CID 70542561

IUPACN-(2,2,6,6-tetramethylpiperidin-4-yl)-5-[2,4,6-trioxo-3,5-bis[5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-1,3,5-triazinan-1-yl]pentanamide
SMILESCC1(C)CC(NC(=O)CCCCn2c(=O)n(CCCCC(=O)NC3CC(C)(C)NC(C)(C)C3)c(=O)n(CCCCC(=O)NC3CC(C)(C)NC(C)(C)C3)c2=O)CC(C)(C)N1
InChIInChI=1S/C45H81N9O6/c1-40(2)25-31(26-41(3,4)49-40)46-34(55)19-13-16-22-52-37(58)53(23-17-14-20-35(56)47-32-27-42(5,6)50-43(7,8)28-32)39(60)54(38(52)59)24-18-15-21-36(57)48-33-29-44(9,10)51-45(11,12)30-33/h31-33,49-51H,13-30H2,1-12H3,(H,46,55)(H,47,56)(H,48,57)
InChIKeyRGXSSJYYPBZZGK-UHFFFAOYSA-N
MW844.20 g/mol
LogP3.96
Rot. Bonds18

About N-(2,2,6,6-tetramethylpiperidin-4-yl)-5-[2,4,6-trioxo-3,5-bis[5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-1,3,5-triazinan-1-yl]pentanamide

N-(2,2,6,6-tetramethylpiperidin-4-yl)-5-[2,4,6-trioxo-3,5-bis[5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-1,3,5-triazinan-1-yl]pentanamide (PubChem CID 70542561) has the molecular formula C45H81N9O6 and a molecular weight of 844.20 g/mol. Its IUPAC name is N-(2,2,6,6-tetramethylpiperidin-4-yl)-5-[2,4,6-trioxo-3,5-bis[5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-1,3,5-triazinan-1-yl]pentanamide.

Molecular Properties

Compound NameN-(2,2,6,6-tetramethylpiperidin-4-yl)-5-[2,4,6-trioxo-3,5-bis[5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-1,3,5-triazinan-1-yl]pentanamide
PubChem CID70542561
Molecular FormulaC45H81N9O6
Molecular Weight844.20 g/mol
Exact Mass843.63
IUPAC NameN-(2,2,6,6-tetramethylpiperidin-4-yl)-5-[2,4,6-trioxo-3,5-bis[5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-1,3,5-triazinan-1-yl]pentanamide
SMILESCC1(C)CC(NC(=O)CCCCn2c(=O)n(CCCCC(=O)NC3CC(C)(C)NC(C)(C)C3)c(=O)n(CCCCC(=O)NC3CC(C)(C)NC(C)(C)C3)c2=O)CC(C)(C)N1
InChIInChI=1S/C45H81N9O6/c1-40(2)25-31(26-41(3,4)49-40)46-34(55)19-13-16-22-52-37(58)53(23-17-14-20-35(56)47-32-27-42(5,6)50-43(7,8)28-32)39(60)54(38(52)59)24-18-15-21-36(57)48-33-29-44(9,10)51-45(11,12)30-33/h31-33,49-51H,13-30H2,1-12H3,(H,46,55)(H,47,56)(H,48,57)
InChIKeyRGXSSJYYPBZZGK-UHFFFAOYSA-N
XLogP3.96
TPSA189.39 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500844.20
LogP ≤ 53.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-(2,2,6,6-tetramethylpiperidin-4-yl)-5-[2,4,6-trioxo-3,5-bis[5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-1,3,5-triazinan-1-yl]pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)-5-[2,4,6-trioxo-3,5-bis[5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-1,3,5-triazinan-1-yl]pentanamide?
The IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)-5-[2,4,6-trioxo-3,5-bis[5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-1,3,5-triazinan-1-yl]pentanamide (CID 70542561) is N-(2,2,6,6-tetramethylpiperidin-4-yl)-5-[2,4,6-trioxo-3,5-bis[5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-1,3,5-triazinan-1-yl]pentanamide.
What is the SMILES notation for N-(2,2,6,6-tetramethylpiperidin-4-yl)-5-[2,4,6-trioxo-3,5-bis[5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-1,3,5-triazinan-1-yl]pentanamide?
The canonical SMILES for N-(2,2,6,6-tetramethylpiperidin-4-yl)-5-[2,4,6-trioxo-3,5-bis[5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-1,3,5-triazinan-1-yl]pentanamide is CC1(C)CC(NC(=O)CCCCn2c(=O)n(CCCCC(=O)NC3CC(C)(C)NC(C)(C)C3)c(=O)n(CCCCC(=O)NC3CC(C)(C)NC(C)(C)C3)c2=O)CC(C)(C)N1.
What is the InChIKey of N-(2,2,6,6-tetramethylpiperidin-4-yl)-5-[2,4,6-trioxo-3,5-bis[5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-1,3,5-triazinan-1-yl]pentanamide?
The InChIKey is RGXSSJYYPBZZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H81N9O6/c1-40(2)25-31(26-41(3,4)49-40)46-34(55)19-13-16-22-52-37(58)53(23-17-14-20-35(56)47-32-27-42(5,6)50-43(7,8)28-32)39(60)54(38(52)59)24-18-15-21-36(57)48-33-29-44(9,10)51-45(11,12)30-33/h31-33,49-51H,13-30H2,1-12H3,(H,46,55)(H,47,56)(H,48,57).
What are the key properties of N-(2,2,6,6-tetramethylpiperidin-4-yl)-5-[2,4,6-trioxo-3,5-bis[5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-1,3,5-triazinan-1-yl]pentanamide?
N-(2,2,6,6-tetramethylpiperidin-4-yl)-5-[2,4,6-trioxo-3,5-bis[5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-1,3,5-triazinan-1-yl]pentanamide has a molecular weight of 844.20 g/mol, XLogP of 3.96, 18 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,6-tetramethylpiperidin-4-yl)-5-[2,4,6-trioxo-3,5-bis[5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-1,3,5-triazinan-1-yl]pentanamide is sourced from PubChem (CID 70542561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).