3,6-dimethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione

C12H20N2O2 — CID 64970393

IUPAC3,6-dimethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(C2CCCC2C)C1=O
InChIInChI=1S/C12H20N2O2/c1-7-5-4-6-10(7)14-9(3)11(15)13-8(2)12(14)16/h7-10H,4-6H2,1-3H3,(H,13,15)
InChIKeyZAPNVNQGGLGKRN-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.91
Rot. Bonds1

About 3,6-dimethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione

3,6-dimethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione (PubChem CID 64970393) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3,6-dimethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dimethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione
PubChem CID64970393
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3,6-dimethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(C2CCCC2C)C1=O
InChIInChI=1S/C12H20N2O2/c1-7-5-4-6-10(7)14-9(3)11(15)13-8(2)12(14)16/h7-10H,4-6H2,1-3H3,(H,13,15)
InChIKeyZAPNVNQGGLGKRN-UHFFFAOYSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione?
The IUPAC name of 3,6-dimethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione (CID 64970393) is 3,6-dimethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-dimethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-dimethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione is CC1NC(=O)C(C)N(C2CCCC2C)C1=O.
What is the InChIKey of 3,6-dimethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione?
The InChIKey is ZAPNVNQGGLGKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-7-5-4-6-10(7)14-9(3)11(15)13-8(2)12(14)16/h7-10H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 3,6-dimethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione?
3,6-dimethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione has a molecular weight of 224.30 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione is sourced from PubChem (CID 64970393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).