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

C13H21NO2 — CID 79516160

IUPAC1-(1-cyclohexylethyl)piperidine-2,4-dione
SMILESCC(C1CCCCC1)N1CCC(=O)CC1=O
InChIInChI=1S/C13H21NO2/c1-10(11-5-3-2-4-6-11)14-8-7-12(15)9-13(14)16/h10-11H,2-9H2,1H3
InChIKeyMOWVXEYBDUFXET-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.15
Rot. Bonds2

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

1-(1-cyclohexylethyl)piperidine-2,4-dione (PubChem CID 79516160) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(1-cyclohexylethyl)piperidine-2,4-dione.

Molecular Properties

Compound Name1-(1-cyclohexylethyl)piperidine-2,4-dione
PubChem CID79516160
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(1-cyclohexylethyl)piperidine-2,4-dione
SMILESCC(C1CCCCC1)N1CCC(=O)CC1=O
InChIInChI=1S/C13H21NO2/c1-10(11-5-3-2-4-6-11)14-8-7-12(15)9-13(14)16/h10-11H,2-9H2,1H3
InChIKeyMOWVXEYBDUFXET-UHFFFAOYSA-N
XLogP2.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.15
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-cyclohexylethyl)piperidine-2,4-dione?
The IUPAC name of 1-(1-cyclohexylethyl)piperidine-2,4-dione (CID 79516160) is 1-(1-cyclohexylethyl)piperidine-2,4-dione.
What is the SMILES notation for 1-(1-cyclohexylethyl)piperidine-2,4-dione?
The canonical SMILES for 1-(1-cyclohexylethyl)piperidine-2,4-dione is CC(C1CCCCC1)N1CCC(=O)CC1=O.
What is the InChIKey of 1-(1-cyclohexylethyl)piperidine-2,4-dione?
The InChIKey is MOWVXEYBDUFXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(11-5-3-2-4-6-11)14-8-7-12(15)9-13(14)16/h10-11H,2-9H2,1H3.
What are the key properties of 1-(1-cyclohexylethyl)piperidine-2,4-dione?
1-(1-cyclohexylethyl)piperidine-2,4-dione has a molecular weight of 223.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethyl)piperidine-2,4-dione is sourced from PubChem (CID 79516160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).