1-[2-(4-methylcyclohexyl)ethyl]piperidine-2,4-dione

C14H23NO2 — CID 79517754

IUPAC1-[2-(4-methylcyclohexyl)ethyl]piperidine-2,4-dione
SMILESCC1CCC(CCN2CCC(=O)CC2=O)CC1
InChIInChI=1S/C14H23NO2/c1-11-2-4-12(5-3-11)6-8-15-9-7-13(16)10-14(15)17/h11-12H,2-10H2,1H3
InChIKeyMJKZQMBTUCERRD-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.39
Rot. Bonds3

About 1-[2-(4-methylcyclohexyl)ethyl]piperidine-2,4-dione

1-[2-(4-methylcyclohexyl)ethyl]piperidine-2,4-dione (PubChem CID 79517754) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[2-(4-methylcyclohexyl)ethyl]piperidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-methylcyclohexyl)ethyl]piperidine-2,4-dione
PubChem CID79517754
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[2-(4-methylcyclohexyl)ethyl]piperidine-2,4-dione
SMILESCC1CCC(CCN2CCC(=O)CC2=O)CC1
InChIInChI=1S/C14H23NO2/c1-11-2-4-12(5-3-11)6-8-15-9-7-13(16)10-14(15)17/h11-12H,2-10H2,1H3
InChIKeyMJKZQMBTUCERRD-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylcyclohexyl)ethyl]piperidine-2,4-dione?
The IUPAC name of 1-[2-(4-methylcyclohexyl)ethyl]piperidine-2,4-dione (CID 79517754) is 1-[2-(4-methylcyclohexyl)ethyl]piperidine-2,4-dione.
What is the SMILES notation for 1-[2-(4-methylcyclohexyl)ethyl]piperidine-2,4-dione?
The canonical SMILES for 1-[2-(4-methylcyclohexyl)ethyl]piperidine-2,4-dione is CC1CCC(CCN2CCC(=O)CC2=O)CC1.
What is the InChIKey of 1-[2-(4-methylcyclohexyl)ethyl]piperidine-2,4-dione?
The InChIKey is MJKZQMBTUCERRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-2-4-12(5-3-11)6-8-15-9-7-13(16)10-14(15)17/h11-12H,2-10H2,1H3.
What are the key properties of 1-[2-(4-methylcyclohexyl)ethyl]piperidine-2,4-dione?
1-[2-(4-methylcyclohexyl)ethyl]piperidine-2,4-dione has a molecular weight of 237.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylcyclohexyl)ethyl]piperidine-2,4-dione is sourced from PubChem (CID 79517754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).