1-cyclohexylpiperidine-2,4-dione

C11H17NO2 — CID 10703011

IUPAC1-cyclohexylpiperidine-2,4-dione
SMILESO=C1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C11H17NO2/c13-10-6-7-12(11(14)8-10)9-4-2-1-3-5-9/h9H,1-8H2
InChIKeyIDYUUXVXLWJHQD-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.51
Rot. Bonds1

About 1-cyclohexylpiperidine-2,4-dione

1-cyclohexylpiperidine-2,4-dione (PubChem CID 10703011) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-cyclohexylpiperidine-2,4-dione.

Molecular Properties

Compound Name1-cyclohexylpiperidine-2,4-dione
PubChem CID10703011
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-cyclohexylpiperidine-2,4-dione
SMILESO=C1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C11H17NO2/c13-10-6-7-12(11(14)8-10)9-4-2-1-3-5-9/h9H,1-8H2
InChIKeyIDYUUXVXLWJHQD-UHFFFAOYSA-N
XLogP1.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.51
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-cyclohexylpiperidine-2,4-dione?
The IUPAC name of 1-cyclohexylpiperidine-2,4-dione (CID 10703011) is 1-cyclohexylpiperidine-2,4-dione.
What is the SMILES notation for 1-cyclohexylpiperidine-2,4-dione?
The canonical SMILES for 1-cyclohexylpiperidine-2,4-dione is O=C1CCN(C2CCCCC2)C(=O)C1.
What is the InChIKey of 1-cyclohexylpiperidine-2,4-dione?
The InChIKey is IDYUUXVXLWJHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-10-6-7-12(11(14)8-10)9-4-2-1-3-5-9/h9H,1-8H2.
What are the key properties of 1-cyclohexylpiperidine-2,4-dione?
1-cyclohexylpiperidine-2,4-dione has a molecular weight of 195.26 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpiperidine-2,4-dione is sourced from PubChem (CID 10703011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).