phenyl 2,2,6,6-tetramethyl-4-[9-oxo-9-[9-oxo-9-(2,2,6,6-tetramethyl-1-phenoxycarbonylpiperidin-4-yl)oxynonanoyl]peroxynonanoyl]oxypiperidine-1-carboxylate

C50H72N2O12 — CID 23052589

IUPACphenyl 2,2,6,6-tetramethyl-4-[9-oxo-9-[9-oxo-9-(2,2,6,6-tetramethyl-1-phenoxycarbonylpiperidin-4-yl)oxynonanoyl]peroxynonanoyl]oxypiperidine-1-carboxylate
SMILESCC1(C)CC(OC(=O)CCCCCCCC(=O)OOC(=O)CCCCCCCC(=O)OC2CC(C)(C)N(C(=O)Oc3ccccc3)C(C)(C)C2)CC(C)(C)N1C(=O)Oc1ccccc1
InChIInChI=1S/C50H72N2O12/c1-47(2)33-39(34-48(3,4)51(47)45(57)61-37-25-17-15-18-26-37)59-41(53)29-21-11-9-13-23-31-43(55)63-64-44(56)32-24-14-10-12-22-30-42(54)60-40-35-49(5,6)52(50(7,8)36-40)46(58)62-38-27-19-16-20-28-38/h15-20,25-28,39-40H,9-14,21-24,29-36H2,1-8H3
InChIKeyGUYSZBBXHUZZJC-UHFFFAOYSA-N
MW893.13 g/mol
LogP10.98
Rot. Bonds20

About phenyl 2,2,6,6-tetramethyl-4-[9-oxo-9-[9-oxo-9-(2,2,6,6-tetramethyl-1-phenoxycarbonylpiperidin-4-yl)oxynonanoyl]peroxynonanoyl]oxypiperidine-1-carboxylate

phenyl 2,2,6,6-tetramethyl-4-[9-oxo-9-[9-oxo-9-(2,2,6,6-tetramethyl-1-phenoxycarbonylpiperidin-4-yl)oxynonanoyl]peroxynonanoyl]oxypiperidine-1-carboxylate (PubChem CID 23052589) has the molecular formula C50H72N2O12 and a molecular weight of 893.13 g/mol. Its IUPAC name is phenyl 2,2,6,6-tetramethyl-4-[9-oxo-9-[9-oxo-9-(2,2,6,6-tetramethyl-1-phenoxycarbonylpiperidin-4-yl)oxynonanoyl]peroxynonanoyl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 2,2,6,6-tetramethyl-4-[9-oxo-9-[9-oxo-9-(2,2,6,6-tetramethyl-1-phenoxycarbonylpiperidin-4-yl)oxynonanoyl]peroxynonanoyl]oxypiperidine-1-carboxylate
PubChem CID23052589
Molecular FormulaC50H72N2O12
Molecular Weight893.13 g/mol
Exact Mass892.51
IUPAC Namephenyl 2,2,6,6-tetramethyl-4-[9-oxo-9-[9-oxo-9-(2,2,6,6-tetramethyl-1-phenoxycarbonylpiperidin-4-yl)oxynonanoyl]peroxynonanoyl]oxypiperidine-1-carboxylate
SMILESCC1(C)CC(OC(=O)CCCCCCCC(=O)OOC(=O)CCCCCCCC(=O)OC2CC(C)(C)N(C(=O)Oc3ccccc3)C(C)(C)C2)CC(C)(C)N1C(=O)Oc1ccccc1
InChIInChI=1S/C50H72N2O12/c1-47(2)33-39(34-48(3,4)51(47)45(57)61-37-25-17-15-18-26-37)59-41(53)29-21-11-9-13-23-31-43(55)63-64-44(56)32-24-14-10-12-22-30-42(54)60-40-35-49(5,6)52(50(7,8)36-40)46(58)62-38-27-19-16-20-28-38/h15-20,25-28,39-40H,9-14,21-24,29-36H2,1-8H3
InChIKeyGUYSZBBXHUZZJC-UHFFFAOYSA-N
XLogP10.98
TPSA164.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500893.13
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze phenyl 2,2,6,6-tetramethyl-4-[9-oxo-9-[9-oxo-9-(2,2,6,6-tetramethyl-1-phenoxycarbonylpiperidin-4-yl)oxynonanoyl]peroxynonanoyl]oxypiperidine-1-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 phenyl 2,2,6,6-tetramethyl-4-[9-oxo-9-[9-oxo-9-(2,2,6,6-tetramethyl-1-phenoxycarbonylpiperidin-4-yl)oxynonanoyl]peroxynonanoyl]oxypiperidine-1-carboxylate?
The IUPAC name of phenyl 2,2,6,6-tetramethyl-4-[9-oxo-9-[9-oxo-9-(2,2,6,6-tetramethyl-1-phenoxycarbonylpiperidin-4-yl)oxynonanoyl]peroxynonanoyl]oxypiperidine-1-carboxylate (CID 23052589) is phenyl 2,2,6,6-tetramethyl-4-[9-oxo-9-[9-oxo-9-(2,2,6,6-tetramethyl-1-phenoxycarbonylpiperidin-4-yl)oxynonanoyl]peroxynonanoyl]oxypiperidine-1-carboxylate.
What is the SMILES notation for phenyl 2,2,6,6-tetramethyl-4-[9-oxo-9-[9-oxo-9-(2,2,6,6-tetramethyl-1-phenoxycarbonylpiperidin-4-yl)oxynonanoyl]peroxynonanoyl]oxypiperidine-1-carboxylate?
The canonical SMILES for phenyl 2,2,6,6-tetramethyl-4-[9-oxo-9-[9-oxo-9-(2,2,6,6-tetramethyl-1-phenoxycarbonylpiperidin-4-yl)oxynonanoyl]peroxynonanoyl]oxypiperidine-1-carboxylate is CC1(C)CC(OC(=O)CCCCCCCC(=O)OOC(=O)CCCCCCCC(=O)OC2CC(C)(C)N(C(=O)Oc3ccccc3)C(C)(C)C2)CC(C)(C)N1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2,2,6,6-tetramethyl-4-[9-oxo-9-[9-oxo-9-(2,2,6,6-tetramethyl-1-phenoxycarbonylpiperidin-4-yl)oxynonanoyl]peroxynonanoyl]oxypiperidine-1-carboxylate?
The InChIKey is GUYSZBBXHUZZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H72N2O12/c1-47(2)33-39(34-48(3,4)51(47)45(57)61-37-25-17-15-18-26-37)59-41(53)29-21-11-9-13-23-31-43(55)63-64-44(56)32-24-14-10-12-22-30-42(54)60-40-35-49(5,6)52(50(7,8)36-40)46(58)62-38-27-19-16-20-28-38/h15-20,25-28,39-40H,9-14,21-24,29-36H2,1-8H3.
What are the key properties of phenyl 2,2,6,6-tetramethyl-4-[9-oxo-9-[9-oxo-9-(2,2,6,6-tetramethyl-1-phenoxycarbonylpiperidin-4-yl)oxynonanoyl]peroxynonanoyl]oxypiperidine-1-carboxylate?
phenyl 2,2,6,6-tetramethyl-4-[9-oxo-9-[9-oxo-9-(2,2,6,6-tetramethyl-1-phenoxycarbonylpiperidin-4-yl)oxynonanoyl]peroxynonanoyl]oxypiperidine-1-carboxylate has a molecular weight of 893.13 g/mol, XLogP of 10.98, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2,2,6,6-tetramethyl-4-[9-oxo-9-[9-oxo-9-(2,2,6,6-tetramethyl-1-phenoxycarbonylpiperidin-4-yl)oxynonanoyl]peroxynonanoyl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 23052589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).