(6R)-1-(2-cyclohexylethyl)-6-(hydroxymethyl)piperazine-2,3-dione

C13H22N2O3 — CID 101032955

IUPAC(6R)-1-(2-cyclohexylethyl)-6-(hydroxymethyl)piperazine-2,3-dione
SMILESO=C1NC[C@H](CO)N(CCC2CCCCC2)C1=O
InChIInChI=1S/C13H22N2O3/c16-9-11-8-14-12(17)13(18)15(11)7-6-10-4-2-1-3-5-10/h10-11,16H,1-9H2,(H,14,17)/t11-/m1/s1
InChIKeyYESVLGKRMAYWSL-LLVKDONJSA-N
MW254.33 g/mol
LogP0.28
Rot. Bonds4

About (6R)-1-(2-cyclohexylethyl)-6-(hydroxymethyl)piperazine-2,3-dione

(6R)-1-(2-cyclohexylethyl)-6-(hydroxymethyl)piperazine-2,3-dione (PubChem CID 101032955) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (6R)-1-(2-cyclohexylethyl)-6-(hydroxymethyl)piperazine-2,3-dione.

Molecular Properties

Compound Name(6R)-1-(2-cyclohexylethyl)-6-(hydroxymethyl)piperazine-2,3-dione
PubChem CID101032955
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(6R)-1-(2-cyclohexylethyl)-6-(hydroxymethyl)piperazine-2,3-dione
SMILESO=C1NC[C@H](CO)N(CCC2CCCCC2)C1=O
InChIInChI=1S/C13H22N2O3/c16-9-11-8-14-12(17)13(18)15(11)7-6-10-4-2-1-3-5-10/h10-11,16H,1-9H2,(H,14,17)/t11-/m1/s1
InChIKeyYESVLGKRMAYWSL-LLVKDONJSA-N
XLogP0.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(5S)-1-[4-[(2S)-1-(2-cyclohexylethyl)-5,6-dioxopiperazin-2-yl]butyl]-4-(cyclohexylmethyl)-5-(2-methylpropyl)piperazine-2,3-dione
CID 53299703
(5S)-4-(2-cyclohexylethyl)-1-[4-[(2S)-1-[2-(4-hydroxyphenyl)ethyl]-5,6-dioxopiperazin-2-yl]butyl]-5-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione
CID 53300322
(5S)-4,5-dibenzyl-1-[4-[(2S)-1-(2-cyclohexylethyl)-5,6-dioxopiperazin-2-yl]butyl]piperazine-2,3-dione
CID 53299701
1-(cyclohexylmethyl)-4-[4-[(2R)-1-(cyclohexylmethyl)-5,6-dioxopiperazin-2-yl]butyl]piperazine-2,3-dione
CID 53301784
(5S)-4-(2-cyclohexylethyl)-1-[4-[(2R)-5,6-dioxo-1-(2-phenylethyl)piperazin-2-yl]butyl]-5-(2-methylpropyl)piperazine-2,3-dione
CID 53301755
(5S)-4-(cyclohexylmethyl)-1-[4-[(2R)-1-(cyclohexylmethyl)-5,6-dioxopiperazin-2-yl]butyl]-5-(2-methylpropyl)piperazine-2,3-dione
CID 53301774
(5S)-4-(cyclohexylmethyl)-1-[4-[(2S)-1-(cyclohexylmethyl)-5,6-dioxopiperazin-2-yl]butyl]-5-(2-methylpropyl)piperazine-2,3-dione
CID 53299685
[1-(2-cyclohexylethyl)azepan-2-yl]methanol
CID 114192428
1-[4-[(2R)-1-(cyclohexylmethyl)-5,6-dioxopiperazin-2-yl]butyl]-4-(2-phenylethyl)piperazine-2,3-dione
CID 53301782
3-(2-cyclohexylethyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83256361
4-(2-cyclohexylethyl)piperazine-2,6-dione
CID 63787691
1-(4-cyclohexylbutyl)-5-(cyclohexylmethyl)imidazolidine-2-thione
CID 73307570

Frequently Asked Questions

What is the IUPAC name of (6R)-1-(2-cyclohexylethyl)-6-(hydroxymethyl)piperazine-2,3-dione?
The IUPAC name of (6R)-1-(2-cyclohexylethyl)-6-(hydroxymethyl)piperazine-2,3-dione (CID 101032955) is (6R)-1-(2-cyclohexylethyl)-6-(hydroxymethyl)piperazine-2,3-dione.
What is the SMILES notation for (6R)-1-(2-cyclohexylethyl)-6-(hydroxymethyl)piperazine-2,3-dione?
The canonical SMILES for (6R)-1-(2-cyclohexylethyl)-6-(hydroxymethyl)piperazine-2,3-dione is O=C1NC[C@H](CO)N(CCC2CCCCC2)C1=O.
What is the InChIKey of (6R)-1-(2-cyclohexylethyl)-6-(hydroxymethyl)piperazine-2,3-dione?
The InChIKey is YESVLGKRMAYWSL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-9-11-8-14-12(17)13(18)15(11)7-6-10-4-2-1-3-5-10/h10-11,16H,1-9H2,(H,14,17)/t11-/m1/s1.
What are the key properties of (6R)-1-(2-cyclohexylethyl)-6-(hydroxymethyl)piperazine-2,3-dione?
(6R)-1-(2-cyclohexylethyl)-6-(hydroxymethyl)piperazine-2,3-dione has a molecular weight of 254.33 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(2-cyclohexylethyl)-6-(hydroxymethyl)piperazine-2,3-dione is sourced from PubChem (CID 101032955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).