3-cyclopropyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione

C12H20N2O2 — CID 64883856

IUPAC3-cyclopropyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)(C2CC2)NC1=O
InChIInChI=1S/C12H20N2O2/c1-7(2)6-9-10(15)14-12(3,8-4-5-8)11(16)13-9/h7-9H,4-6H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyYKHCKEZSWRVCBY-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.82
Rot. Bonds3

About 3-cyclopropyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione

3-cyclopropyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64883856) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64883856
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-cyclopropyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)(C2CC2)NC1=O
InChIInChI=1S/C12H20N2O2/c1-7(2)6-9-10(15)14-12(3,8-4-5-8)11(16)13-9/h7-9H,4-6H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyYKHCKEZSWRVCBY-UHFFFAOYSA-N
XLogP0.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione (CID 64883856) is 3-cyclopropyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1NC(=O)C(C)(C2CC2)NC1=O.
What is the InChIKey of 3-cyclopropyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is YKHCKEZSWRVCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-7(2)6-9-10(15)14-12(3,8-4-5-8)11(16)13-9/h7-9H,4-6H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 3-cyclopropyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione?
3-cyclopropyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 224.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64883856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).