1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,5-dione

C11H18N2O4 — CID 113449251

IUPAC1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(CC(O)C2CCOC2)CC1=O
InChIInChI=1S/C11H18N2O4/c1-12-5-11(16)13(6-10(12)15)4-9(14)8-2-3-17-7-8/h8-9,14H,2-7H2,1H3
InChIKeyVYUBRNDVICEYTE-UHFFFAOYSA-N
MW242.27 g/mol
LogP-1.32
Rot. Bonds3

About 1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,5-dione

1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,5-dione (PubChem CID 113449251) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,5-dione
PubChem CID113449251
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(CC(O)C2CCOC2)CC1=O
InChIInChI=1S/C11H18N2O4/c1-12-5-11(16)13(6-10(12)15)4-9(14)8-2-3-17-7-8/h8-9,14H,2-7H2,1H3
InChIKeyVYUBRNDVICEYTE-UHFFFAOYSA-N
XLogP-1.32
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-(Hydroxymethyl)piperidin-1-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 53526074
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 60297881
1-[2-[Methyl(oxolan-2-ylmethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62659345
1-[2-[Ethyl(oxolan-2-ylmethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62659526
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94160651
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 94160652
2-[2-(Hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 102787870
2-[2-(Hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 102787980
1-(2,6-Dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102788941
2-(3-Hydroxy-4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 103898157
N,N-diethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898283
2-(3-hydroxy-4-methylpiperidin-1-yl)-N,N-dipropylacetamide
CID 103898571

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,5-dione (CID 113449251) is 1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N(CC(O)C2CCOC2)CC1=O.
What is the InChIKey of 1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,5-dione?
The InChIKey is VYUBRNDVICEYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-12-5-11(16)13(6-10(12)15)4-9(14)8-2-3-17-7-8/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,5-dione?
1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,5-dione has a molecular weight of 242.27 g/mol, XLogP of -1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 113449251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).