1-(1-cyclohexylpropyl)piperidine-2,4-dione

C14H23NO2 — CID 79516321

IUPAC1-(1-cyclohexylpropyl)piperidine-2,4-dione
SMILESCCC(C1CCCCC1)N1CCC(=O)CC1=O
InChIInChI=1S/C14H23NO2/c1-2-13(11-6-4-3-5-7-11)15-9-8-12(16)10-14(15)17/h11,13H,2-10H2,1H3
InChIKeyTUVMOWFWULQOQV-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.54
Rot. Bonds3

About 1-(1-cyclohexylpropyl)piperidine-2,4-dione

1-(1-cyclohexylpropyl)piperidine-2,4-dione (PubChem CID 79516321) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(1-cyclohexylpropyl)piperidine-2,4-dione.

Molecular Properties

Compound Name1-(1-cyclohexylpropyl)piperidine-2,4-dione
PubChem CID79516321
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(1-cyclohexylpropyl)piperidine-2,4-dione
SMILESCCC(C1CCCCC1)N1CCC(=O)CC1=O
InChIInChI=1S/C14H23NO2/c1-2-13(11-6-4-3-5-7-11)15-9-8-12(16)10-14(15)17/h11,13H,2-10H2,1H3
InChIKeyTUVMOWFWULQOQV-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
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-(1-cyclohexylpropyl)piperidine-2,4-dione?
The IUPAC name of 1-(1-cyclohexylpropyl)piperidine-2,4-dione (CID 79516321) is 1-(1-cyclohexylpropyl)piperidine-2,4-dione.
What is the SMILES notation for 1-(1-cyclohexylpropyl)piperidine-2,4-dione?
The canonical SMILES for 1-(1-cyclohexylpropyl)piperidine-2,4-dione is CCC(C1CCCCC1)N1CCC(=O)CC1=O.
What is the InChIKey of 1-(1-cyclohexylpropyl)piperidine-2,4-dione?
The InChIKey is TUVMOWFWULQOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-13(11-6-4-3-5-7-11)15-9-8-12(16)10-14(15)17/h11,13H,2-10H2,1H3.
What are the key properties of 1-(1-cyclohexylpropyl)piperidine-2,4-dione?
1-(1-cyclohexylpropyl)piperidine-2,4-dione has a molecular weight of 237.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpropyl)piperidine-2,4-dione is sourced from PubChem (CID 79516321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).