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

C14H21NO4 — CID 55155586

IUPAC3-methyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CC(=O)N(C2(C(=O)O)CCCC(C)C2)C(=O)C1
InChIInChI=1S/C14H21NO4/c1-9-4-3-5-14(8-9,13(18)19)15-11(16)6-10(2)7-12(15)17/h9-10H,3-8H2,1-2H3,(H,18,19)
InChIKeyCADSYDZBYKMOPM-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.80
Rot. Bonds2

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

3-methyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 55155586) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-methyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID55155586
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name3-methyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CC(=O)N(C2(C(=O)O)CCCC(C)C2)C(=O)C1
InChIInChI=1S/C14H21NO4/c1-9-4-3-5-14(8-9,13(18)19)15-11(16)6-10(2)7-12(15)17/h9-10H,3-8H2,1-2H3,(H,18,19)
InChIKeyCADSYDZBYKMOPM-UHFFFAOYSA-N
XLogP1.80
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-tert-butyl-2-ethyl-6-oxopiperidin-1-ium-1,2-dicarboxylic acid
CID 117925134
3-Methyl-1-piperidin-1-ylcyclohexane-1-carboxylic acid
CID 43803762
2-(2,4-Dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylpentanoic acid
CID 43804772
2-Cyclohexyl-2-(2,6-dioxopiperidin-1-yl)acetic acid
CID 54901543
1-(4-Methyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 55155585
1-[Acetyl(propyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 55234599
2-(2,4-Dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoic acid
CID 61263798
1-(2,6-Dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 61289906
1-(2,6-Dioxopiperidin-1-yl)cycloheptane-1-carboxylic acid
CID 61290289
1-(7,9-Dioxo-8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carboxylic acid
CID 61290848
1-(2,4-Dioxo-3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid
CID 61291020
1-(2,6-Dioxopiperidin-1-yl)-4-methylcyclohexane-1-carboxylic acid
CID 61291438

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid (CID 55155586) is 3-methyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid is CC1CC(=O)N(C2(C(=O)O)CCCC(C)C2)C(=O)C1.
What is the InChIKey of 3-methyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is CADSYDZBYKMOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9-4-3-5-14(8-9,13(18)19)15-11(16)6-10(2)7-12(15)17/h9-10H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid?
3-methyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55155586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).