1-(oxolan-2-ylmethyl)piperazine-2,5-dione

C9H14N2O3 — CID 64872858

IUPAC1-(oxolan-2-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(CC2CCCO2)C(=O)CN1
InChIInChI=1S/C9H14N2O3/c12-8-6-11(9(13)4-10-8)5-7-2-1-3-14-7/h7H,1-6H2,(H,10,12)
InChIKeyNDGSKITZHYGLPI-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.88
Rot. Bonds2

About 1-(oxolan-2-ylmethyl)piperazine-2,5-dione

1-(oxolan-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64872858) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)piperazine-2,5-dione
PubChem CID64872858
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-(oxolan-2-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(CC2CCCO2)C(=O)CN1
InChIInChI=1S/C9H14N2O3/c12-8-6-11(9(13)4-10-8)5-7-2-1-3-14-7/h7H,1-6H2,(H,10,12)
InChIKeyNDGSKITZHYGLPI-UHFFFAOYSA-N
XLogP-0.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-3-ylmethyl)piperazine-2,5-dione
CID 64955690
1-(cyclobutylmethyl)piperazine-2,5-dione
CID 64956054
3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one
CID 7026051
3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64879241
3-(oxan-2-ylmethyl)imidazolidine-2,4-dione
CID 103601172
1-(oxolan-2-ylmethyl)piperazine-2,6-dione
CID 64982518
1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 106003016
3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione
CID 64881514
4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64878807
3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64879773
ethane;1-methyl-4-(oxolan-2-ylmethyl)piperazine;4-methylpiperazin-2-one
CID 171516221
1-methyl-3-(oxolan-2-ylmethyl)imidazolidin-2-one
CID 117026456

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 1-(oxolan-2-ylmethyl)piperazine-2,5-dione (CID 64872858) is 1-(oxolan-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 1-(oxolan-2-ylmethyl)piperazine-2,5-dione is O=C1CN(CC2CCCO2)C(=O)CN1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is NDGSKITZHYGLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-8-6-11(9(13)4-10-8)5-7-2-1-3-14-7/h7H,1-6H2,(H,10,12).
What are the key properties of 1-(oxolan-2-ylmethyl)piperazine-2,5-dione?
1-(oxolan-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 198.22 g/mol, XLogP of -0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64872858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).