1-[4-[4-(2,6-dioxopiperidin-3-yl)phenoxy]cyclohexanecarbonyl]piperidine-4-carboxylic acid

C24H30N2O6 — CID 168882197

IUPAC1-[4-[4-(2,6-dioxopiperidin-3-yl)phenoxy]cyclohexanecarbonyl]piperidine-4-carboxylic acid
SMILESO=C1CCC(c2ccc(OC3CCC(C(=O)N4CCC(C(=O)O)CC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C24H30N2O6/c27-21-10-9-20(22(28)25-21)15-1-5-18(6-2-15)32-19-7-3-16(4-8-19)23(29)26-13-11-17(12-14-26)24(30)31/h1-2,5-6,16-17,19-20H,3-4,7-14H2,(H,30,31)(H,25,27,28)
InChIKeyDPJXTRIULDSWAZ-UHFFFAOYSA-N
MW442.51 g/mol
LogP2.47
Rot. Bonds5

About 1-[4-[4-(2,6-dioxopiperidin-3-yl)phenoxy]cyclohexanecarbonyl]piperidine-4-carboxylic acid

1-[4-[4-(2,6-dioxopiperidin-3-yl)phenoxy]cyclohexanecarbonyl]piperidine-4-carboxylic acid (PubChem CID 168882197) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is 1-[4-[4-(2,6-dioxopiperidin-3-yl)phenoxy]cyclohexanecarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-(2,6-dioxopiperidin-3-yl)phenoxy]cyclohexanecarbonyl]piperidine-4-carboxylic acid
PubChem CID168882197
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Name1-[4-[4-(2,6-dioxopiperidin-3-yl)phenoxy]cyclohexanecarbonyl]piperidine-4-carboxylic acid
SMILESO=C1CCC(c2ccc(OC3CCC(C(=O)N4CCC(C(=O)O)CC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C24H30N2O6/c27-21-10-9-20(22(28)25-21)15-1-5-18(6-2-15)32-19-7-3-16(4-8-19)23(29)26-13-11-17(12-14-26)24(30)31/h1-2,5-6,16-17,19-20H,3-4,7-14H2,(H,30,31)(H,25,27,28)
InChIKeyDPJXTRIULDSWAZ-UHFFFAOYSA-N
XLogP2.47
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[4-(2,6-dioxopiperidin-3-yl)phenoxy]cyclohexanecarbonyl]piperidine-4-carboxylic 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 1-[4-[4-(2,6-dioxopiperidin-3-yl)phenoxy]cyclohexanecarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-[4-(2,6-dioxopiperidin-3-yl)phenoxy]cyclohexanecarbonyl]piperidine-4-carboxylic acid (CID 168882197) is 1-[4-[4-(2,6-dioxopiperidin-3-yl)phenoxy]cyclohexanecarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-[4-(2,6-dioxopiperidin-3-yl)phenoxy]cyclohexanecarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-[4-(2,6-dioxopiperidin-3-yl)phenoxy]cyclohexanecarbonyl]piperidine-4-carboxylic acid is O=C1CCC(c2ccc(OC3CCC(C(=O)N4CCC(C(=O)O)CC4)CC3)cc2)C(=O)N1.
What is the InChIKey of 1-[4-[4-(2,6-dioxopiperidin-3-yl)phenoxy]cyclohexanecarbonyl]piperidine-4-carboxylic acid?
The InChIKey is DPJXTRIULDSWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c27-21-10-9-20(22(28)25-21)15-1-5-18(6-2-15)32-19-7-3-16(4-8-19)23(29)26-13-11-17(12-14-26)24(30)31/h1-2,5-6,16-17,19-20H,3-4,7-14H2,(H,30,31)(H,25,27,28).
What are the key properties of 1-[4-[4-(2,6-dioxopiperidin-3-yl)phenoxy]cyclohexanecarbonyl]piperidine-4-carboxylic acid?
1-[4-[4-(2,6-dioxopiperidin-3-yl)phenoxy]cyclohexanecarbonyl]piperidine-4-carboxylic acid has a molecular weight of 442.51 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,6-dioxopiperidin-3-yl)phenoxy]cyclohexanecarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 168882197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).