3-tert-butyl-1,6-dimethylpiperazine-2,5-dione

C10H18N2O2 — CID 64902648

IUPAC3-tert-butyl-1,6-dimethylpiperazine-2,5-dione
SMILESCC1C(=O)NC(C(C)(C)C)C(=O)N1C
InChIInChI=1S/C10H18N2O2/c1-6-8(13)11-7(10(2,3)4)9(14)12(6)5/h6-7H,1-5H3,(H,11,13)
InChIKeyTVDDEOSBSKJQJM-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.38
Rot. Bonds

About 3-tert-butyl-1,6-dimethylpiperazine-2,5-dione

3-tert-butyl-1,6-dimethylpiperazine-2,5-dione (PubChem CID 64902648) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-tert-butyl-1,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1,6-dimethylpiperazine-2,5-dione
PubChem CID64902648
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-tert-butyl-1,6-dimethylpiperazine-2,5-dione
SMILESCC1C(=O)NC(C(C)(C)C)C(=O)N1C
InChIInChI=1S/C10H18N2O2/c1-6-8(13)11-7(10(2,3)4)9(14)12(6)5/h6-7H,1-5H3,(H,11,13)
InChIKeyTVDDEOSBSKJQJM-UHFFFAOYSA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclo(L-leucyl-L-leucyl)
CID 192731
Cyclo(alanyl-leucyl)
CID 13879946
3-Isopropyl-6-methyl-2,5-dioxopiperazine
CID 139895
(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
CID 7075896
3-Isobutyl-6-methyl-2,5-piperazinedione
CID 3634567
(3S,6S)-3-Isopropyl-6-methylpiperazine-2,5-dione
CID 13783106
(3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione
CID 25220884
3-(2-Butanyl)-6-methyl-2,5-piperazinedione
CID 45359405
(3R)-3-(propan-2-yl)piperazine-2,5-dione
CID 736000
(3S,6S)-3-((2S)-butan-2-yl)-6-methylpiperazine-2,5-dione
CID 71359704
(6S)-6-(4-aminobutyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 23640882
N-(Carbamoylmethyl)-2-acetamido-3-methylbutanamide
CID 644829

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1,6-dimethylpiperazine-2,5-dione (CID 64902648) is 3-tert-butyl-1,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1,6-dimethylpiperazine-2,5-dione is CC1C(=O)NC(C(C)(C)C)C(=O)N1C.
What is the InChIKey of 3-tert-butyl-1,6-dimethylpiperazine-2,5-dione?
The InChIKey is TVDDEOSBSKJQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-6-8(13)11-7(10(2,3)4)9(14)12(6)5/h6-7H,1-5H3,(H,11,13).
What are the key properties of 3-tert-butyl-1,6-dimethylpiperazine-2,5-dione?
3-tert-butyl-1,6-dimethylpiperazine-2,5-dione has a molecular weight of 198.27 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64902648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).