3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione

C14H24N2O2 — CID 64969134

IUPAC3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione
SMILESCCCCC(C)N1CC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-4-5-6-10(2)16-9-12(17)15-14(3,13(16)18)11-7-8-11/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyOTXLADJYKSXZBI-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.69
Rot. Bonds5

About 3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione

3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione (PubChem CID 64969134) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione
PubChem CID64969134
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione
SMILESCCCCC(C)N1CC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-4-5-6-10(2)16-9-12(17)15-14(3,13(16)18)11-7-8-11/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyOTXLADJYKSXZBI-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Launch Full Analysis

Related Compounds

3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione
CID 106027659
1-hexan-2-yl-3,3-dimethylpiperazine-2,5-dione
CID 64969014
3-cyclopropyl-3-methyl-1-(2-methylpentan-3-yl)piperazine-2,5-dione
CID 64964684
1-hexan-2-yl-3-methylpiperazine-2,5-dione
CID 64969050
3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione
CID 64964376
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
3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64969063
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-3-methyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione
CID 113472045
3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione
CID 107888901

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione (CID 64969134) is 3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione is CCCCC(C)N1CC(=O)NC(C)(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione?
The InChIKey is OTXLADJYKSXZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-5-6-10(2)16-9-12(17)15-14(3,13(16)18)11-7-8-11/h10-11H,4-9H2,1-3H3,(H,15,17).
What are the key properties of 3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione?
3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64969134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).