9-(2-methylpiperidin-4-yl)-10-(2-methylpiperidin-4-yl)oxy-10-oxodecanoic acid

C22H40N2O4 — CID 175421607

IUPAC9-(2-methylpiperidin-4-yl)-10-(2-methylpiperidin-4-yl)oxy-10-oxodecanoic acid
SMILESCC1CC(OC(=O)C(CCCCCCCC(=O)O)C2CCNC(C)C2)CCN1
InChIInChI=1S/C22H40N2O4/c1-16-14-18(10-12-23-16)20(8-6-4-3-5-7-9-21(25)26)22(27)28-19-11-13-24-17(2)15-19/h16-20,23-24H,3-15H2,1-2H3,(H,25,26)
InChIKeyGTQLDNNNGNLLMN-UHFFFAOYSA-N
MW396.57 g/mol
LogP3.49
Rot. Bonds11

About 9-(2-methylpiperidin-4-yl)-10-(2-methylpiperidin-4-yl)oxy-10-oxodecanoic acid

9-(2-methylpiperidin-4-yl)-10-(2-methylpiperidin-4-yl)oxy-10-oxodecanoic acid (PubChem CID 175421607) has the molecular formula C22H40N2O4 and a molecular weight of 396.57 g/mol. Its IUPAC name is 9-(2-methylpiperidin-4-yl)-10-(2-methylpiperidin-4-yl)oxy-10-oxodecanoic acid.

Molecular Properties

Compound Name9-(2-methylpiperidin-4-yl)-10-(2-methylpiperidin-4-yl)oxy-10-oxodecanoic acid
PubChem CID175421607
Molecular FormulaC22H40N2O4
Molecular Weight396.57 g/mol
Exact Mass396.30
IUPAC Name9-(2-methylpiperidin-4-yl)-10-(2-methylpiperidin-4-yl)oxy-10-oxodecanoic acid
SMILESCC1CC(OC(=O)C(CCCCCCCC(=O)O)C2CCNC(C)C2)CCN1
InChIInChI=1S/C22H40N2O4/c1-16-14-18(10-12-23-16)20(8-6-4-3-5-7-9-21(25)26)22(27)28-19-11-13-24-17(2)15-19/h16-20,23-24H,3-15H2,1-2H3,(H,25,26)
InChIKeyGTQLDNNNGNLLMN-UHFFFAOYSA-N
XLogP3.49
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.57
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-(2-methylpiperidin-4-yl)-10-(2-methylpiperidin-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-methylpiperidin-4-yl)-10-(2-methylpiperidin-4-yl)oxy-10-oxodecanoic acid?
The IUPAC name of 9-(2-methylpiperidin-4-yl)-10-(2-methylpiperidin-4-yl)oxy-10-oxodecanoic acid (CID 175421607) is 9-(2-methylpiperidin-4-yl)-10-(2-methylpiperidin-4-yl)oxy-10-oxodecanoic acid.
What is the SMILES notation for 9-(2-methylpiperidin-4-yl)-10-(2-methylpiperidin-4-yl)oxy-10-oxodecanoic acid?
The canonical SMILES for 9-(2-methylpiperidin-4-yl)-10-(2-methylpiperidin-4-yl)oxy-10-oxodecanoic acid is CC1CC(OC(=O)C(CCCCCCCC(=O)O)C2CCNC(C)C2)CCN1.
What is the InChIKey of 9-(2-methylpiperidin-4-yl)-10-(2-methylpiperidin-4-yl)oxy-10-oxodecanoic acid?
The InChIKey is GTQLDNNNGNLLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O4/c1-16-14-18(10-12-23-16)20(8-6-4-3-5-7-9-21(25)26)22(27)28-19-11-13-24-17(2)15-19/h16-20,23-24H,3-15H2,1-2H3,(H,25,26).
What are the key properties of 9-(2-methylpiperidin-4-yl)-10-(2-methylpiperidin-4-yl)oxy-10-oxodecanoic acid?
9-(2-methylpiperidin-4-yl)-10-(2-methylpiperidin-4-yl)oxy-10-oxodecanoic acid has a molecular weight of 396.57 g/mol, XLogP of 3.49, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylpiperidin-4-yl)-10-(2-methylpiperidin-4-yl)oxy-10-oxodecanoic acid is sourced from PubChem (CID 175421607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).