3-cyclopropyl-3-methyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione

C14H24N2O2 — CID 113472045

IUPAC3-cyclopropyl-3-methyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione
SMILESCCCC(C)(C)N1CC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-5-8-13(2,3)16-9-11(17)15-14(4,12(16)18)10-6-7-10/h10H,5-9H2,1-4H3,(H,15,17)
InChIKeyZWOACIXNIAHADR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.69
Rot. Bonds4

About 3-cyclopropyl-3-methyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione

3-cyclopropyl-3-methyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione (PubChem CID 113472045) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione
PubChem CID113472045
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-cyclopropyl-3-methyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione
SMILESCCCC(C)(C)N1CC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-5-8-13(2,3)16-9-11(17)15-14(4,12(16)18)10-6-7-10/h10H,5-9H2,1-4H3,(H,15,17)
InChIKeyZWOACIXNIAHADR-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-3-methyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione (CID 113472045) is 3-cyclopropyl-3-methyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione is CCCC(C)(C)N1CC(=O)NC(C)(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione?
The InChIKey is ZWOACIXNIAHADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-8-13(2,3)16-9-11(17)15-14(4,12(16)18)10-6-7-10/h10H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 3-cyclopropyl-3-methyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione?
3-cyclopropyl-3-methyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 113472045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).