N'-[4-[4-(5-hydroxypentyl)triazol-1-yl]phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

C24H36N6O3 — CID 53318146

IUPACN'-[4-[4-(5-hydroxypentyl)triazol-1-yl]phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC1(C)CC(NC(=O)C(=O)Nc2ccc(-n3cc(CCCCCO)nn3)cc2)CC(C)(C)N1
InChIInChI=1S/C24H36N6O3/c1-23(2)14-19(15-24(3,4)28-23)26-22(33)21(32)25-17-9-11-20(12-10-17)30-16-18(27-29-30)8-6-5-7-13-31/h9-12,16,19,28,31H,5-8,13-15H2,1-4H3,(H,25,32)(H,26,33)
InChIKeyULHVKSBMEYLBHV-UHFFFAOYSA-N
MW456.59 g/mol
LogP2.34
Rot. Bonds8

About N'-[4-[4-(5-hydroxypentyl)triazol-1-yl]phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

N'-[4-[4-(5-hydroxypentyl)triazol-1-yl]phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (PubChem CID 53318146) has the molecular formula C24H36N6O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is N'-[4-[4-(5-hydroxypentyl)triazol-1-yl]phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-[4-[4-(5-hydroxypentyl)triazol-1-yl]phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
PubChem CID53318146
Molecular FormulaC24H36N6O3
Molecular Weight456.59 g/mol
Exact Mass456.28
IUPAC NameN'-[4-[4-(5-hydroxypentyl)triazol-1-yl]phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC1(C)CC(NC(=O)C(=O)Nc2ccc(-n3cc(CCCCCO)nn3)cc2)CC(C)(C)N1
InChIInChI=1S/C24H36N6O3/c1-23(2)14-19(15-24(3,4)28-23)26-22(33)21(32)25-17-9-11-20(12-10-17)30-16-18(27-29-30)8-6-5-7-13-31/h9-12,16,19,28,31H,5-8,13-15H2,1-4H3,(H,25,32)(H,26,33)
InChIKeyULHVKSBMEYLBHV-UHFFFAOYSA-N
XLogP2.34
TPSA121.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[4-(5-hydroxypentyl)triazol-1-yl]phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The IUPAC name of N'-[4-[4-(5-hydroxypentyl)triazol-1-yl]phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (CID 53318146) is N'-[4-[4-(5-hydroxypentyl)triazol-1-yl]phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-[4-[4-(5-hydroxypentyl)triazol-1-yl]phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-[4-[4-(5-hydroxypentyl)triazol-1-yl]phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is CC1(C)CC(NC(=O)C(=O)Nc2ccc(-n3cc(CCCCCO)nn3)cc2)CC(C)(C)N1.
What is the InChIKey of N'-[4-[4-(5-hydroxypentyl)triazol-1-yl]phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The InChIKey is ULHVKSBMEYLBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O3/c1-23(2)14-19(15-24(3,4)28-23)26-22(33)21(32)25-17-9-11-20(12-10-17)30-16-18(27-29-30)8-6-5-7-13-31/h9-12,16,19,28,31H,5-8,13-15H2,1-4H3,(H,25,32)(H,26,33).
What are the key properties of N'-[4-[4-(5-hydroxypentyl)triazol-1-yl]phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
N'-[4-[4-(5-hydroxypentyl)triazol-1-yl]phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide has a molecular weight of 456.59 g/mol, XLogP of 2.34, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[4-(5-hydroxypentyl)triazol-1-yl]phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 53318146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).