6-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyhexanoic acid

C26H48N2O4 — CID 54164307

IUPAC6-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyhexanoic acid
SMILESCN1C(C)(C)CC(OC(=O)CC(CCC(=O)O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C26H48N2O4/c1-23(2)14-19(15-24(3,4)27(23)9)18(11-12-21(29)30)13-22(31)32-20-16-25(5,6)28(10)26(7,8)17-20/h18-20H,11-17H2,1-10H3,(H,29,30)
InChIKeyOQOWJTKHRLXMIG-UHFFFAOYSA-N
MW452.68 g/mol
LogP4.95
Rot. Bonds7

About 6-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyhexanoic acid

6-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyhexanoic acid (PubChem CID 54164307) has the molecular formula C26H48N2O4 and a molecular weight of 452.68 g/mol. Its IUPAC name is 6-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyhexanoic acid.

Molecular Properties

Compound Name6-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyhexanoic acid
PubChem CID54164307
Molecular FormulaC26H48N2O4
Molecular Weight452.68 g/mol
Exact Mass452.36
IUPAC Name6-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyhexanoic acid
SMILESCN1C(C)(C)CC(OC(=O)CC(CCC(=O)O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C26H48N2O4/c1-23(2)14-19(15-24(3,4)27(23)9)18(11-12-21(29)30)13-22(31)32-20-16-25(5,6)28(10)26(7,8)17-20/h18-20H,11-17H2,1-10H3,(H,29,30)
InChIKeyOQOWJTKHRLXMIG-UHFFFAOYSA-N
XLogP4.95
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.68
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyhexanoic acid 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 6-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyhexanoic acid?
The IUPAC name of 6-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyhexanoic acid (CID 54164307) is 6-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyhexanoic acid.
What is the SMILES notation for 6-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyhexanoic acid?
The canonical SMILES for 6-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyhexanoic acid is CN1C(C)(C)CC(OC(=O)CC(CCC(=O)O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 6-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyhexanoic acid?
The InChIKey is OQOWJTKHRLXMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N2O4/c1-23(2)14-19(15-24(3,4)27(23)9)18(11-12-21(29)30)13-22(31)32-20-16-25(5,6)28(10)26(7,8)17-20/h18-20H,11-17H2,1-10H3,(H,29,30).
What are the key properties of 6-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyhexanoic acid?
6-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyhexanoic acid has a molecular weight of 452.68 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyhexanoic acid is sourced from PubChem (CID 54164307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).