3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione

C15H28N2O2 — CID 64969006

IUPAC3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCCC(CC)N1C(=O)C(CC)NC(=O)C1C(C)C
InChIInChI=1S/C15H28N2O2/c1-6-9-11(7-2)17-13(10(4)5)14(18)16-12(8-3)15(17)19/h10-13H,6-9H2,1-5H3,(H,16,18)
InChIKeyBWXXGMKJPBXKKM-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.33
Rot. Bonds6

About 3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione

3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64969006) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64969006
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCCC(CC)N1C(=O)C(CC)NC(=O)C1C(C)C
InChIInChI=1S/C15H28N2O2/c1-6-9-11(7-2)17-13(10(4)5)14(18)16-12(8-3)15(17)19/h10-13H,6-9H2,1-5H3,(H,16,18)
InChIKeyBWXXGMKJPBXKKM-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

3-butan-2-yl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64969105
3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64959747
1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64972873
1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64957236
3-ethyl-1-(4-methoxybutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64973083
1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64971646
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263
3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64968418
6-cyclopropyl-3-ethyl-1-pentan-2-ylpiperazine-2,5-dione
CID 107888826
3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
CID 79351077
3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64963527
1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64972901

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione (CID 64969006) is 3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione is CCCC(CC)N1C(=O)C(CC)NC(=O)C1C(C)C.
What is the InChIKey of 3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is BWXXGMKJPBXKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-6-9-11(7-2)17-13(10(4)5)14(18)16-12(8-3)15(17)19/h10-13H,6-9H2,1-5H3,(H,16,18).
What are the key properties of 3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione?
3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64969006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).