3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate

C24H44N2O4 — CID 155039442

IUPAC3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCC(CCOC(=O)C1CC(C)(C)NC(C)(C)C1)OC(=O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H44N2O4/c1-16(30-20(28)18-14-23(6,7)26-24(8,9)15-18)10-11-29-19(27)17-12-21(2,3)25-22(4,5)13-17/h16-18,25-26H,10-15H2,1-9H3
InChIKeyWZTHICGQYZIQCM-UHFFFAOYSA-N
MW424.63 g/mol
LogP3.96
Rot. Bonds6

About 3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate

3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate (PubChem CID 155039442) has the molecular formula C24H44N2O4 and a molecular weight of 424.63 g/mol. Its IUPAC name is 3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate.

Molecular Properties

Compound Name3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate
PubChem CID155039442
Molecular FormulaC24H44N2O4
Molecular Weight424.63 g/mol
Exact Mass424.33
IUPAC Name3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCC(CCOC(=O)C1CC(C)(C)NC(C)(C)C1)OC(=O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H44N2O4/c1-16(30-20(28)18-14-23(6,7)26-24(8,9)15-18)10-11-29-19(27)17-12-21(2,3)25-22(4,5)13-17/h16-18,25-26H,10-15H2,1-9H3
InChIKeyWZTHICGQYZIQCM-UHFFFAOYSA-N
XLogP3.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate?
The IUPAC name of 3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate (CID 155039442) is 3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate.
What is the SMILES notation for 3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate?
The canonical SMILES for 3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate is CC(CCOC(=O)C1CC(C)(C)NC(C)(C)C1)OC(=O)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate?
The InChIKey is WZTHICGQYZIQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O4/c1-16(30-20(28)18-14-23(6,7)26-24(8,9)15-18)10-11-29-19(27)17-12-21(2,3)25-22(4,5)13-17/h16-18,25-26H,10-15H2,1-9H3.
What are the key properties of 3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate?
3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate has a molecular weight of 424.63 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate is sourced from PubChem (CID 155039442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).