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

C15H23NO4 — CID 62933457

IUPAC4-ethyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)(N2C(=O)CC(C)CC2=O)CC1
InChIInChI=1S/C15H23NO4/c1-3-11-4-6-15(7-5-11,14(19)20)16-12(17)8-10(2)9-13(16)18/h10-11H,3-9H2,1-2H3,(H,19,20)
InChIKeyMQTBKIADKOQOSA-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.20
Rot. Bonds3

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

4-ethyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 62933457) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-ethyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID62933457
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-ethyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)(N2C(=O)CC(C)CC2=O)CC1
InChIInChI=1S/C15H23NO4/c1-3-11-4-6-15(7-5-11,14(19)20)16-12(17)8-10(2)9-13(16)18/h10-11H,3-9H2,1-2H3,(H,19,20)
InChIKeyMQTBKIADKOQOSA-UHFFFAOYSA-N
XLogP2.20
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.20
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 4-ethyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid (CID 62933457) is 4-ethyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid is CCC1CCC(C(=O)O)(N2C(=O)CC(C)CC2=O)CC1.
What is the InChIKey of 4-ethyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is MQTBKIADKOQOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-3-11-4-6-15(7-5-11,14(19)20)16-12(17)8-10(2)9-13(16)18/h10-11H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 4-ethyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid?
4-ethyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 281.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62933457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).