2,2,3-trimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid

C16H25NO4 — CID 102628037

IUPAC2,2,3-trimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CC(=O)N(C2CCC(C(=O)O)C(C)(C)C2C)C(=O)C1
InChIInChI=1S/C16H25NO4/c1-9-7-13(18)17(14(19)8-9)12-6-5-11(15(20)21)16(3,4)10(12)2/h9-12H,5-8H2,1-4H3,(H,20,21)
InChIKeyREODWRVBBMWMBE-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.30
Rot. Bonds2

About 2,2,3-trimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid

2,2,3-trimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 102628037) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2,2,3-trimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID102628037
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2,2,3-trimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CC(=O)N(C2CCC(C(=O)O)C(C)(C)C2C)C(=O)C1
InChIInChI=1S/C16H25NO4/c1-9-7-13(18)17(14(19)8-9)12-6-5-11(15(20)21)16(3,4)10(12)2/h9-12H,5-8H2,1-4H3,(H,20,21)
InChIKeyREODWRVBBMWMBE-UHFFFAOYSA-N
XLogP2.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2,2,3-trimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid (CID 102628037) is 2,2,3-trimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2,2,3-trimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2,2,3-trimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid is CC1CC(=O)N(C2CCC(C(=O)O)C(C)(C)C2C)C(=O)C1.
What is the InChIKey of 2,2,3-trimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is REODWRVBBMWMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-9-7-13(18)17(14(19)8-9)12-6-5-11(15(20)21)16(3,4)10(12)2/h9-12H,5-8H2,1-4H3,(H,20,21).
What are the key properties of 2,2,3-trimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid?
2,2,3-trimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-4-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 102628037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).