4-cyclohexyl-3-ethylpiperidine-2,6-dione

C13H21NO2 — CID 79321349

IUPAC4-cyclohexyl-3-ethylpiperidine-2,6-dione
SMILESCCC1C(=O)NC(=O)CC1C1CCCCC1
InChIInChI=1S/C13H21NO2/c1-2-10-11(8-12(15)14-13(10)16)9-6-4-3-5-7-9/h9-11H,2-8H2,1H3,(H,14,15,16)
InChIKeyPYWNMNJTGWOSTK-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.26
Rot. Bonds2

About 4-cyclohexyl-3-ethylpiperidine-2,6-dione

4-cyclohexyl-3-ethylpiperidine-2,6-dione (PubChem CID 79321349) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-cyclohexyl-3-ethylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-cyclohexyl-3-ethylpiperidine-2,6-dione
PubChem CID79321349
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-cyclohexyl-3-ethylpiperidine-2,6-dione
SMILESCCC1C(=O)NC(=O)CC1C1CCCCC1
InChIInChI=1S/C13H21NO2/c1-2-10-11(8-12(15)14-13(10)16)9-6-4-3-5-7-9/h9-11H,2-8H2,1H3,(H,14,15,16)
InChIKeyPYWNMNJTGWOSTK-UHFFFAOYSA-N
XLogP2.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-cyclopropyl-3-(2-methylpropyl)piperidine-2,6-dione
CID 79318356
3-cyclohexylpyrrolidine-2,5-dione
CID 12931268
3-cyclopentylpyrrolidine-2,5-dione
CID 14918416
4-cyclohexyl-3-(3-methylphenyl)piperidine-2,6-dione
CID 79424502
4-(4-cyclopropylphenyl)-3-ethylpiperidine-2,6-dione
CID 79977934
3-methyl-4-(3-methylcyclohexyl)piperidine-2,6-dione
CID 79317949
3-benzyl-4-(oxan-4-yl)piperidine-2,6-dione
CID 79309818
4-(3,5-dimethylcyclohex-3-en-1-yl)-3-propylpiperidine-2,6-dione
CID 103277882
3-butyl-4-cyclohexylpyrrolidin-2-one
CID 174456342
3-(2-methylpropyl)-4-(oxolan-2-yl)piperidine-2,6-dione
CID 82838057
3-cycloheptyl-5-oxopyrrolidine-2-carboxylic acid
CID 105359954
3-(1-ethylazepan-4-yl)pyrrolidine-2,5-dione
CID 65076585

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-ethylpiperidine-2,6-dione?
The IUPAC name of 4-cyclohexyl-3-ethylpiperidine-2,6-dione (CID 79321349) is 4-cyclohexyl-3-ethylpiperidine-2,6-dione.
What is the SMILES notation for 4-cyclohexyl-3-ethylpiperidine-2,6-dione?
The canonical SMILES for 4-cyclohexyl-3-ethylpiperidine-2,6-dione is CCC1C(=O)NC(=O)CC1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-3-ethylpiperidine-2,6-dione?
The InChIKey is PYWNMNJTGWOSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-10-11(8-12(15)14-13(10)16)9-6-4-3-5-7-9/h9-11H,2-8H2,1H3,(H,14,15,16).
What are the key properties of 4-cyclohexyl-3-ethylpiperidine-2,6-dione?
4-cyclohexyl-3-ethylpiperidine-2,6-dione has a molecular weight of 223.32 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-ethylpiperidine-2,6-dione is sourced from PubChem (CID 79321349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).