3-hydroxy-6-(2-methylpropyl)-3-(trifluoromethyl)piperazine-2,5-dione

C9H13F3N2O3 — CID 5011032

IUPAC3-hydroxy-6-(2-methylpropyl)-3-(trifluoromethyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(O)(C(F)(F)F)NC1=O
InChIInChI=1S/C9H13F3N2O3/c1-4(2)3-5-6(15)14-8(17,7(16)13-5)9(10,11)12/h4-5,17H,3H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyBSGGWUAEUBZOCQ-UHFFFAOYSA-N
MW254.21 g/mol
LogP-0.10
Rot. Bonds2

About 3-hydroxy-6-(2-methylpropyl)-3-(trifluoromethyl)piperazine-2,5-dione

3-hydroxy-6-(2-methylpropyl)-3-(trifluoromethyl)piperazine-2,5-dione (PubChem CID 5011032) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 3-hydroxy-6-(2-methylpropyl)-3-(trifluoromethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-6-(2-methylpropyl)-3-(trifluoromethyl)piperazine-2,5-dione
PubChem CID5011032
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name3-hydroxy-6-(2-methylpropyl)-3-(trifluoromethyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(O)(C(F)(F)F)NC1=O
InChIInChI=1S/C9H13F3N2O3/c1-4(2)3-5-6(15)14-8(17,7(16)13-5)9(10,11)12/h4-5,17H,3H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyBSGGWUAEUBZOCQ-UHFFFAOYSA-N
XLogP-0.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(7S)-7-(2-methylpropyl)-5,8-diazaspiro[3.5]nonane-6,9-dione
CID 11820437
3-cyclopropyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64883856
(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 23278156
(3S,6R)-3-(hydroxymethyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 162908531
(3S,6R,9S,12S,15R,18S)-3,6,12-tris[(2S)-butan-2-yl]-9,15,18-tris(2-methylpropyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 146035611
5-(3,3,3-trifluoro-2-methylpropyl)imidazolidine-2,4-dione
CID 137408677
(3S,6S)-3-butan-2-yl-6-(2-methylpropyl)piperazine-2,5-dione
CID 15226952
(3S)-3-(2-methylpropyl)-6-(2-methylpropylidene)piperazine-2,5-dione
CID 131884394
6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64901168
(3R)-8a-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 56953620
(3S,6S,9S,12S,15S)-1,7-dimethyl-3,6,9,12,15-pentakis(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 25112188
3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanamide
CID 57400085

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(2-methylpropyl)-3-(trifluoromethyl)piperazine-2,5-dione?
The IUPAC name of 3-hydroxy-6-(2-methylpropyl)-3-(trifluoromethyl)piperazine-2,5-dione (CID 5011032) is 3-hydroxy-6-(2-methylpropyl)-3-(trifluoromethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-hydroxy-6-(2-methylpropyl)-3-(trifluoromethyl)piperazine-2,5-dione?
The canonical SMILES for 3-hydroxy-6-(2-methylpropyl)-3-(trifluoromethyl)piperazine-2,5-dione is CC(C)CC1NC(=O)C(O)(C(F)(F)F)NC1=O.
What is the InChIKey of 3-hydroxy-6-(2-methylpropyl)-3-(trifluoromethyl)piperazine-2,5-dione?
The InChIKey is BSGGWUAEUBZOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c1-4(2)3-5-6(15)14-8(17,7(16)13-5)9(10,11)12/h4-5,17H,3H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 3-hydroxy-6-(2-methylpropyl)-3-(trifluoromethyl)piperazine-2,5-dione?
3-hydroxy-6-(2-methylpropyl)-3-(trifluoromethyl)piperazine-2,5-dione has a molecular weight of 254.21 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(2-methylpropyl)-3-(trifluoromethyl)piperazine-2,5-dione is sourced from PubChem (CID 5011032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).