3-butan-2-yl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione

C15H28N2O2 — CID 64901941

IUPAC3-butan-2-yl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione
SMILESCCCC(C)CN1C(=O)C(C(C)CC)NC(=O)C1C
InChIInChI=1S/C15H28N2O2/c1-6-8-10(3)9-17-12(5)14(18)16-13(15(17)19)11(4)7-2/h10-13H,6-9H2,1-5H3,(H,16,18)
InChIKeyXWUISRIAYVECIT-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.18
Rot. Bonds6

About 3-butan-2-yl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione

3-butan-2-yl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione (PubChem CID 64901941) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-butan-2-yl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione
PubChem CID64901941
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-butan-2-yl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione
SMILESCCCC(C)CN1C(=O)C(C(C)CC)NC(=O)C1C
InChIInChI=1S/C15H28N2O2/c1-6-8-10(3)9-17-12(5)14(18)16-13(15(17)19)11(4)7-2/h10-13H,6-9H2,1-5H3,(H,16,18)
InChIKeyXWUISRIAYVECIT-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yl-1-(2,3-dimethylbutyl)-6-methylpiperazine-2,5-dione
CID 64973180
3-butan-2-yl-1-[(E)-but-2-enyl]-6-methylpiperazine-2,5-dione
CID 114013986
1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 82934843
6-ethyl-1-(2-methylpentyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64872873
3-butan-2-yl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733586
3-butan-2-yl-6-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
CID 106290775
3-butan-2-yl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64902888
3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione
CID 64901564
3-butan-2-yl-1-(2-methylpentyl)-1,4-diazepane-2,5-dione
CID 64883530
3-butan-2-yl-1-[(2-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64901749
3-butan-2-yl-6-methyl-1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione
CID 106422209
3-butan-2-yl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione
CID 64959451

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione (CID 64901941) is 3-butan-2-yl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione is CCCC(C)CN1C(=O)C(C(C)CC)NC(=O)C1C.
What is the InChIKey of 3-butan-2-yl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione?
The InChIKey is XWUISRIAYVECIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-6-8-10(3)9-17-12(5)14(18)16-13(15(17)19)11(4)7-2/h10-13H,6-9H2,1-5H3,(H,16,18).
What are the key properties of 3-butan-2-yl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione?
3-butan-2-yl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione is sourced from PubChem (CID 64901941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).