1-cyclohexyl-6-propan-2-ylpiperazine-2,5-dione

C13H22N2O2 — CID 64958842

IUPAC1-cyclohexyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1C1CCCCC1
InChIInChI=1S/C13H22N2O2/c1-9(2)12-13(17)14-8-11(16)15(12)10-6-4-3-5-7-10/h9-10,12H,3-8H2,1-2H3,(H,14,17)
InChIKeyURJNAYBPHSJXBG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds2

About 1-cyclohexyl-6-propan-2-ylpiperazine-2,5-dione

1-cyclohexyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64958842) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-cyclohexyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64958842
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-cyclohexyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1C1CCCCC1
InChIInChI=1S/C13H22N2O2/c1-9(2)12-13(17)14-8-11(16)15(12)10-6-4-3-5-7-10/h9-10,12H,3-8H2,1-2H3,(H,14,17)
InChIKeyURJNAYBPHSJXBG-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-6-propan-2-ylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64969338
1-cycloheptyl-6-cyclopropylpiperazine-2,5-dione
CID 82936467
3-cycloheptyl-2-propan-2-ylimidazolidin-4-one
CID 83243721
1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64959767
1-(2-phenylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64967274
3-cycloheptyl-2-methylimidazolidin-4-one
CID 83244225
1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968809
6-cyclohexyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64879511
1-phenyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958790
1-cyclopentyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958467
1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64960299
1-(7-methyloctyl)-6-propan-2-ylpiperazine-2,5-dione
CID 107818498

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-cyclohexyl-6-propan-2-ylpiperazine-2,5-dione (CID 64958842) is 1-cyclohexyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-6-propan-2-ylpiperazine-2,5-dione is CC(C)C1C(=O)NCC(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is URJNAYBPHSJXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(2)12-13(17)14-8-11(16)15(12)10-6-4-3-5-7-10/h9-10,12H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 1-cyclohexyl-6-propan-2-ylpiperazine-2,5-dione?
1-cyclohexyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64958842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).