3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione

C13H22N2O2 — CID 64969063

IUPAC3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione
SMILESCCCCC(C)N1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C13H22N2O2/c1-3-4-5-9(2)15-8-11(16)14-12(13(15)17)10-6-7-10/h9-10,12H,3-8H2,1-2H3,(H,14,16)
InChIKeyOMQUVDDHAXEROE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds5

About 3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione

3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione (PubChem CID 64969063) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione
PubChem CID64969063
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione
SMILESCCCCC(C)N1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C13H22N2O2/c1-3-4-5-9(2)15-8-11(16)14-12(13(15)17)10-6-7-10/h9-10,12H,3-8H2,1-2H3,(H,14,16)
InChIKeyOMQUVDDHAXEROE-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-hexan-2-yl-3-methylpiperazine-2,5-dione
CID 64969050
3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione
CID 64972991
3-cyclopropyl-1-propan-2-ylpiperazine-2,5-dione
CID 64879421
3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958301
3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione
CID 64969099
3-cyclopropyl-6-ethyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64968978
3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
CID 64959665
3-cyclopropyl-1-(2-ethylhexyl)piperazine-2,5-dione
CID 64879426
3-cyclopropyl-7-methyl-1-pentan-2-yl-1,4-diazepane-2,5-dione
CID 114013090
1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione
CID 64957214
3-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione
CID 64957202
3-cyclopropyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione
CID 64965061

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione (CID 64969063) is 3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione is CCCCC(C)N1CC(=O)NC(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione?
The InChIKey is OMQUVDDHAXEROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-4-5-9(2)15-8-11(16)14-12(13(15)17)10-6-7-10/h9-10,12H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione?
3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.30, 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-ylpiperazine-2,5-dione is sourced from PubChem (CID 64969063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).