4-(3,5-dimethylcyclohexyl)piperazine-2,6-dione

C12H20N2O2 — CID 64734474

IUPAC4-(3,5-dimethylcyclohexyl)piperazine-2,6-dione
SMILESCC1CC(C)CC(N2CC(=O)NC(=O)C2)C1
InChIInChI=1S/C12H20N2O2/c1-8-3-9(2)5-10(4-8)14-6-11(15)13-12(16)7-14/h8-10H,3-7H2,1-2H3,(H,13,15,16)
InChIKeySQJIFTGEBLCTTD-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.77
Rot. Bonds1

About 4-(3,5-dimethylcyclohexyl)piperazine-2,6-dione

4-(3,5-dimethylcyclohexyl)piperazine-2,6-dione (PubChem CID 64734474) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-(3,5-dimethylcyclohexyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(3,5-dimethylcyclohexyl)piperazine-2,6-dione
PubChem CID64734474
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-(3,5-dimethylcyclohexyl)piperazine-2,6-dione
SMILESCC1CC(C)CC(N2CC(=O)NC(=O)C2)C1
InChIInChI=1S/C12H20N2O2/c1-8-3-9(2)5-10(4-8)14-6-11(15)13-12(16)7-14/h8-10H,3-7H2,1-2H3,(H,13,15,16)
InChIKeySQJIFTGEBLCTTD-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylcyclohexyl)piperazine-2,6-dione?
The IUPAC name of 4-(3,5-dimethylcyclohexyl)piperazine-2,6-dione (CID 64734474) is 4-(3,5-dimethylcyclohexyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(3,5-dimethylcyclohexyl)piperazine-2,6-dione?
The canonical SMILES for 4-(3,5-dimethylcyclohexyl)piperazine-2,6-dione is CC1CC(C)CC(N2CC(=O)NC(=O)C2)C1.
What is the InChIKey of 4-(3,5-dimethylcyclohexyl)piperazine-2,6-dione?
The InChIKey is SQJIFTGEBLCTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8-3-9(2)5-10(4-8)14-6-11(15)13-12(16)7-14/h8-10H,3-7H2,1-2H3,(H,13,15,16).
What are the key properties of 4-(3,5-dimethylcyclohexyl)piperazine-2,6-dione?
4-(3,5-dimethylcyclohexyl)piperazine-2,6-dione has a molecular weight of 224.30 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylcyclohexyl)piperazine-2,6-dione is sourced from PubChem (CID 64734474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).