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

C14H24N2O2 — CID 64964684

IUPAC3-cyclopropyl-3-methyl-1-(2-methylpentan-3-yl)piperazine-2,5-dione
SMILESCCC(C(C)C)N1CC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-5-11(9(2)3)16-8-12(17)15-14(4,13(16)18)10-6-7-10/h9-11H,5-8H2,1-4H3,(H,15,17)
InChIKeyQHLABYCAYJNQQP-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.55
Rot. Bonds4

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

3-cyclopropyl-3-methyl-1-(2-methylpentan-3-yl)piperazine-2,5-dione (PubChem CID 64964684) 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-3-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-(2-methylpentan-3-yl)piperazine-2,5-dione
PubChem CID64964684
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-cyclopropyl-3-methyl-1-(2-methylpentan-3-yl)piperazine-2,5-dione
SMILESCCC(C(C)C)N1CC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-5-11(9(2)3)16-8-12(17)15-14(4,13(16)18)10-6-7-10/h9-11H,5-8H2,1-4H3,(H,15,17)
InChIKeyQHLABYCAYJNQQP-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione
CID 64969134
3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione
CID 106027659
3-cyclopropyl-3-methyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64963080
3-cyclopropyl-1-(2,2-dimethylcyclopropyl)-3-methylpiperazine-2,5-dione
CID 64968171
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64956567
3-cyclopropyl-1-(1-ethoxypropan-2-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64967374
3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64972797
3-cyclopropyl-3-methyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione
CID 113472045
3-cyclopropyl-6-ethyl-3-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958165
3-cyclopropyl-3-methyl-1-(1-methylpiperidin-4-yl)piperazine-2,5-dione
CID 64960064
3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
CID 106459136
6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione
CID 64887094

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-(2-methylpentan-3-yl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-3-methyl-1-(2-methylpentan-3-yl)piperazine-2,5-dione (CID 64964684) is 3-cyclopropyl-3-methyl-1-(2-methylpentan-3-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-(2-methylpentan-3-yl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-(2-methylpentan-3-yl)piperazine-2,5-dione is CCC(C(C)C)N1CC(=O)NC(C)(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-(2-methylpentan-3-yl)piperazine-2,5-dione?
The InChIKey is QHLABYCAYJNQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-11(9(2)3)16-8-12(17)15-14(4,13(16)18)10-6-7-10/h9-11H,5-8H2,1-4H3,(H,15,17).
What are the key properties of 3-cyclopropyl-3-methyl-1-(2-methylpentan-3-yl)piperazine-2,5-dione?
3-cyclopropyl-3-methyl-1-(2-methylpentan-3-yl)piperazine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.55, 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-3-yl)piperazine-2,5-dione is sourced from PubChem (CID 64964684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).