1-[(1S,2S)-2-hydroxycyclopentyl]-4-methylpiperazine-2,5-dione

C10H16N2O3 — CID 102735220

IUPAC1-[(1S,2S)-2-hydroxycyclopentyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N([C@H]2CCC[C@@H]2O)CC1=O
InChIInChI=1S/C10H16N2O3/c1-11-5-10(15)12(6-9(11)14)7-3-2-4-8(7)13/h7-8,13H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyUWFVIHMYWSSDGL-YUMQZZPRSA-N
MW212.25 g/mol
LogP-0.80
Rot. Bonds1

About 1-[(1S,2S)-2-hydroxycyclopentyl]-4-methylpiperazine-2,5-dione

1-[(1S,2S)-2-hydroxycyclopentyl]-4-methylpiperazine-2,5-dione (PubChem CID 102735220) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[(1S,2S)-2-hydroxycyclopentyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(1S,2S)-2-hydroxycyclopentyl]-4-methylpiperazine-2,5-dione
PubChem CID102735220
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-[(1S,2S)-2-hydroxycyclopentyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N([C@H]2CCC[C@@H]2O)CC1=O
InChIInChI=1S/C10H16N2O3/c1-11-5-10(15)12(6-9(11)14)7-3-2-4-8(7)13/h7-8,13H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyUWFVIHMYWSSDGL-YUMQZZPRSA-N
XLogP-0.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methylpiperazin-1-yl)cyclopentan-1-ol
CID 44827676
1-(2-Methylpiperidin-1-yl)-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 75372575
1-[(2R)-2-methylpiperidin-1-yl]-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone
CID 96351268
1-[(2R)-2-methylpiperidin-1-yl]-2-[(2R)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone
CID 100073380
1-Piperidin-1-yl-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 122135305
1-piperidin-1-yl-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone
CID 124293594
1-piperidin-1-yl-2-[(2R)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone
CID 124293595
1-piperidin-1-yl-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone
CID 124554793
1-piperidin-1-yl-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone
CID 124554794
1-[(2R)-2-methylpiperidin-1-yl]-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone
CID 124727581
1-[(2R)-2-methylpiperidin-1-yl]-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]ethanone
CID 124727582
2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 154757210

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-hydroxycyclopentyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(1S,2S)-2-hydroxycyclopentyl]-4-methylpiperazine-2,5-dione (CID 102735220) is 1-[(1S,2S)-2-hydroxycyclopentyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(1S,2S)-2-hydroxycyclopentyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(1S,2S)-2-hydroxycyclopentyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N([C@H]2CCC[C@@H]2O)CC1=O.
What is the InChIKey of 1-[(1S,2S)-2-hydroxycyclopentyl]-4-methylpiperazine-2,5-dione?
The InChIKey is UWFVIHMYWSSDGL-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-11-5-10(15)12(6-9(11)14)7-3-2-4-8(7)13/h7-8,13H,2-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-hydroxycyclopentyl]-4-methylpiperazine-2,5-dione?
1-[(1S,2S)-2-hydroxycyclopentyl]-4-methylpiperazine-2,5-dione has a molecular weight of 212.25 g/mol, XLogP of -0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-hydroxycyclopentyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 102735220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).