9-(2,6-dimethylpiperidin-4-yl)-10-(2,6-dimethylpiperidin-4-yl)oxy-10-oxodecanoic acid

C24H44N2O4 — CID 67803800

IUPAC9-(2,6-dimethylpiperidin-4-yl)-10-(2,6-dimethylpiperidin-4-yl)oxy-10-oxodecanoic acid
SMILESCC1CC(OC(=O)C(CCCCCCCC(=O)O)C2CC(C)NC(C)C2)CC(C)N1
InChIInChI=1S/C24H44N2O4/c1-16-12-20(13-17(2)25-16)22(10-8-6-5-7-9-11-23(27)28)24(29)30-21-14-18(3)26-19(4)15-21/h16-22,25-26H,5-15H2,1-4H3,(H,27,28)
InChIKeyPRSWFIZBBREKHL-UHFFFAOYSA-N
MW424.63 g/mol
LogP4.27
Rot. Bonds11

About 9-(2,6-dimethylpiperidin-4-yl)-10-(2,6-dimethylpiperidin-4-yl)oxy-10-oxodecanoic acid

9-(2,6-dimethylpiperidin-4-yl)-10-(2,6-dimethylpiperidin-4-yl)oxy-10-oxodecanoic acid (PubChem CID 67803800) has the molecular formula C24H44N2O4 and a molecular weight of 424.63 g/mol. Its IUPAC name is 9-(2,6-dimethylpiperidin-4-yl)-10-(2,6-dimethylpiperidin-4-yl)oxy-10-oxodecanoic acid.

Molecular Properties

Compound Name9-(2,6-dimethylpiperidin-4-yl)-10-(2,6-dimethylpiperidin-4-yl)oxy-10-oxodecanoic acid
PubChem CID67803800
Molecular FormulaC24H44N2O4
Molecular Weight424.63 g/mol
Exact Mass424.33
IUPAC Name9-(2,6-dimethylpiperidin-4-yl)-10-(2,6-dimethylpiperidin-4-yl)oxy-10-oxodecanoic acid
SMILESCC1CC(OC(=O)C(CCCCCCCC(=O)O)C2CC(C)NC(C)C2)CC(C)N1
InChIInChI=1S/C24H44N2O4/c1-16-12-20(13-17(2)25-16)22(10-8-6-5-7-9-11-23(27)28)24(29)30-21-14-18(3)26-19(4)15-21/h16-22,25-26H,5-15H2,1-4H3,(H,27,28)
InChIKeyPRSWFIZBBREKHL-UHFFFAOYSA-N
XLogP4.27
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-(2,6-dimethylpiperidin-4-yl)-10-(2,6-dimethylpiperidin-4-yl)oxy-10-oxodecanoic 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 9-(2,6-dimethylpiperidin-4-yl)-10-(2,6-dimethylpiperidin-4-yl)oxy-10-oxodecanoic acid?
The IUPAC name of 9-(2,6-dimethylpiperidin-4-yl)-10-(2,6-dimethylpiperidin-4-yl)oxy-10-oxodecanoic acid (CID 67803800) is 9-(2,6-dimethylpiperidin-4-yl)-10-(2,6-dimethylpiperidin-4-yl)oxy-10-oxodecanoic acid.
What is the SMILES notation for 9-(2,6-dimethylpiperidin-4-yl)-10-(2,6-dimethylpiperidin-4-yl)oxy-10-oxodecanoic acid?
The canonical SMILES for 9-(2,6-dimethylpiperidin-4-yl)-10-(2,6-dimethylpiperidin-4-yl)oxy-10-oxodecanoic acid is CC1CC(OC(=O)C(CCCCCCCC(=O)O)C2CC(C)NC(C)C2)CC(C)N1.
What is the InChIKey of 9-(2,6-dimethylpiperidin-4-yl)-10-(2,6-dimethylpiperidin-4-yl)oxy-10-oxodecanoic acid?
The InChIKey is PRSWFIZBBREKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O4/c1-16-12-20(13-17(2)25-16)22(10-8-6-5-7-9-11-23(27)28)24(29)30-21-14-18(3)26-19(4)15-21/h16-22,25-26H,5-15H2,1-4H3,(H,27,28).
What are the key properties of 9-(2,6-dimethylpiperidin-4-yl)-10-(2,6-dimethylpiperidin-4-yl)oxy-10-oxodecanoic acid?
9-(2,6-dimethylpiperidin-4-yl)-10-(2,6-dimethylpiperidin-4-yl)oxy-10-oxodecanoic acid has a molecular weight of 424.63 g/mol, XLogP of 4.27, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-dimethylpiperidin-4-yl)-10-(2,6-dimethylpiperidin-4-yl)oxy-10-oxodecanoic acid is sourced from PubChem (CID 67803800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).