[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate

C24H44N2O4 — CID 5185552

IUPAC[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCC1(C)CC(OC(=O)CCCCOC(=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C24H44N2O4/c1-21(2)13-17(14-22(3,4)25-21)20(28)29-12-10-9-11-19(27)30-18-15-23(5,6)26-24(7,8)16-18/h17-18,25-26H,9-16H2,1-8H3
InChIKeyKVYGEHURLRNOCH-UHFFFAOYSA-N
MW424.63 g/mol
LogP4.11
Rot. Bonds7

About [5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate

[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate (PubChem CID 5185552) has the molecular formula C24H44N2O4 and a molecular weight of 424.63 g/mol. Its IUPAC name is [5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate
PubChem CID5185552
Molecular FormulaC24H44N2O4
Molecular Weight424.63 g/mol
Exact Mass424.33
IUPAC Name[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCC1(C)CC(OC(=O)CCCCOC(=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C24H44N2O4/c1-21(2)13-17(14-22(3,4)25-21)20(28)29-12-10-9-11-19(27)30-18-15-23(5,6)26-24(7,8)16-18/h17-18,25-26H,9-16H2,1-8H3
InChIKeyKVYGEHURLRNOCH-UHFFFAOYSA-N
XLogP4.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate 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 [5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate?
The IUPAC name of [5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate (CID 5185552) is [5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate.
What is the SMILES notation for [5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate?
The canonical SMILES for [5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate is CC1(C)CC(OC(=O)CCCCOC(=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of [5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate?
The InChIKey is KVYGEHURLRNOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O4/c1-21(2)13-17(14-22(3,4)25-21)20(28)29-12-10-9-11-19(27)30-18-15-23(5,6)26-24(7,8)16-18/h17-18,25-26H,9-16H2,1-8H3.
What are the key properties of [5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate?
[5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate has a molecular weight of 424.63 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypentyl] 2,2,6,6-tetramethylpiperidine-4-carboxylate is sourced from PubChem (CID 5185552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).