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

C11H18N2O3 — CID 102735221

IUPAC1-ethyl-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-2,5-dione
SMILESCCN1CC(=O)N([C@H]2CCC[C@@H]2O)CC1=O
InChIInChI=1S/C11H18N2O3/c1-2-12-6-11(16)13(7-10(12)15)8-4-3-5-9(8)14/h8-9,14H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyKKBODGPCPSZMDP-IUCAKERBSA-N
MW226.28 g/mol
LogP-0.41
Rot. Bonds2

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

1-ethyl-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-2,5-dione (PubChem CID 102735221) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-ethyl-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-2,5-dione
PubChem CID102735221
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-ethyl-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-2,5-dione
SMILESCCN1CC(=O)N([C@H]2CCC[C@@H]2O)CC1=O
InChIInChI=1S/C11H18N2O3/c1-2-12-6-11(16)13(7-10(12)15)8-4-3-5-9(8)14/h8-9,14H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyKKBODGPCPSZMDP-IUCAKERBSA-N
XLogP-0.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S,2S)-2-hydroxycyclopentyl]-4-methylpiperazine-2,5-dione
CID 102735220
(9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 102280583
2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetaldehyde
CID 79942303
trans-(1S,2S)-2-(4-ethylpiperazin-1-yl)cyclopentan-1-ol
CID 102734329
1-ethyl-4-(oxiran-2-ylmethyl)piperazine-2,5-dione
CID 79937304
5-[(4-ethyl-2,5-dioxopiperazin-1-yl)methyl]furan-2-carbaldehyde
CID 113372371
5-ethyl-2-[(1S,2S)-2-hydroxycyclopentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 102735297
5-(4-ethyl-2,5-dioxopiperazin-1-yl)pentanoic acid
CID 79936678
1-[2-(chloromethyl)prop-2-enyl]-4-ethylpiperazine-2,5-dione
CID 103065832
1-[(1S,2S)-2-hydroxycyclohexyl]-4-sulfanylpyrrolidin-2-one
CID 168707552
(3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol
CID 115278432
1-[[4-(aminomethyl)phenyl]methyl]-4-ethylpiperazine-2,5-dione
CID 79936780

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-2,5-dione?
The IUPAC name of 1-ethyl-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-2,5-dione (CID 102735221) is 1-ethyl-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-2,5-dione.
What is the SMILES notation for 1-ethyl-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-2,5-dione?
The canonical SMILES for 1-ethyl-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-2,5-dione is CCN1CC(=O)N([C@H]2CCC[C@@H]2O)CC1=O.
What is the InChIKey of 1-ethyl-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-2,5-dione?
The InChIKey is KKBODGPCPSZMDP-IUCAKERBSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-12-6-11(16)13(7-10(12)15)8-4-3-5-9(8)14/h8-9,14H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of 1-ethyl-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-2,5-dione?
1-ethyl-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-2,5-dione has a molecular weight of 226.28 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-2,5-dione is sourced from PubChem (CID 102735221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).