3-methyl-4-(3-methylcyclohexyl)piperidine-2,6-dione

C13H21NO2 — CID 79317949

IUPAC3-methyl-4-(3-methylcyclohexyl)piperidine-2,6-dione
SMILESCC1CCCC(C2CC(=O)NC(=O)C2C)C1
InChIInChI=1S/C13H21NO2/c1-8-4-3-5-10(6-8)11-7-12(15)14-13(16)9(11)2/h8-11H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyYYHBJQDJNVWQCR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.11
Rot. Bonds1

About 3-methyl-4-(3-methylcyclohexyl)piperidine-2,6-dione

3-methyl-4-(3-methylcyclohexyl)piperidine-2,6-dione (PubChem CID 79317949) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-methyl-4-(3-methylcyclohexyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-(3-methylcyclohexyl)piperidine-2,6-dione
PubChem CID79317949
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-methyl-4-(3-methylcyclohexyl)piperidine-2,6-dione
SMILESCC1CCCC(C2CC(=O)NC(=O)C2C)C1
InChIInChI=1S/C13H21NO2/c1-8-4-3-5-10(6-8)11-7-12(15)14-13(16)9(11)2/h8-11H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyYYHBJQDJNVWQCR-UHFFFAOYSA-N
XLogP2.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylcyclohexyl)piperidine-2,6-dione?
The IUPAC name of 3-methyl-4-(3-methylcyclohexyl)piperidine-2,6-dione (CID 79317949) is 3-methyl-4-(3-methylcyclohexyl)piperidine-2,6-dione.
What is the SMILES notation for 3-methyl-4-(3-methylcyclohexyl)piperidine-2,6-dione?
The canonical SMILES for 3-methyl-4-(3-methylcyclohexyl)piperidine-2,6-dione is CC1CCCC(C2CC(=O)NC(=O)C2C)C1.
What is the InChIKey of 3-methyl-4-(3-methylcyclohexyl)piperidine-2,6-dione?
The InChIKey is YYHBJQDJNVWQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8-4-3-5-10(6-8)11-7-12(15)14-13(16)9(11)2/h8-11H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 3-methyl-4-(3-methylcyclohexyl)piperidine-2,6-dione?
3-methyl-4-(3-methylcyclohexyl)piperidine-2,6-dione has a molecular weight of 223.32 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylcyclohexyl)piperidine-2,6-dione is sourced from PubChem (CID 79317949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).