1-(oxolan-3-yl)piperazine-2,5-dione

C8H12N2O3 — CID 64873450

IUPAC1-(oxolan-3-yl)piperazine-2,5-dione
SMILESO=C1CN(C2CCOC2)C(=O)CN1
InChIInChI=1S/C8H12N2O3/c11-7-4-10(8(12)3-9-7)6-1-2-13-5-6/h6H,1-5H2,(H,9,11)
InChIKeyUVCPSBVDBREVOW-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.27
Rot. Bonds1

About 1-(oxolan-3-yl)piperazine-2,5-dione

1-(oxolan-3-yl)piperazine-2,5-dione (PubChem CID 64873450) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-(oxolan-3-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(oxolan-3-yl)piperazine-2,5-dione
PubChem CID64873450
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-(oxolan-3-yl)piperazine-2,5-dione
SMILESO=C1CN(C2CCOC2)C(=O)CN1
InChIInChI=1S/C8H12N2O3/c11-7-4-10(8(12)3-9-7)6-1-2-13-5-6/h6H,1-5H2,(H,9,11)
InChIKeyUVCPSBVDBREVOW-UHFFFAOYSA-N
XLogP-1.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-3-yl)piperazine-2,5-dione
CID 64955997
1-(oxan-4-yl)-1,4-diazepane-2,5-dione
CID 64960879
6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64878893
2-(oxolan-3-yl)-5,7,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3,6-trione
CID 107439519
6-cyclopropyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64878733
3-(oxan-3-yl)imidazolidin-4-one
CID 83263370
1-(2-methylcyclohexyl)piperazine-2,5-dione
CID 64955602
1-(oxan-3-ylmethyl)piperazine-2,5-dione
CID 64955690
1-(1,1-dioxothian-3-yl)piperazine-2,5-dione
CID 64956222
2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-dione
CID 164590118
4-hydroxy-1-[(3R)-oxolan-3-yl]pyrrolidin-2-one
CID 168701747
1-(oxan-3-yl)-3-propylpiperazine-2,5-dione
CID 64971351

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)piperazine-2,5-dione?
The IUPAC name of 1-(oxolan-3-yl)piperazine-2,5-dione (CID 64873450) is 1-(oxolan-3-yl)piperazine-2,5-dione.
What is the SMILES notation for 1-(oxolan-3-yl)piperazine-2,5-dione?
The canonical SMILES for 1-(oxolan-3-yl)piperazine-2,5-dione is O=C1CN(C2CCOC2)C(=O)CN1.
What is the InChIKey of 1-(oxolan-3-yl)piperazine-2,5-dione?
The InChIKey is UVCPSBVDBREVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-7-4-10(8(12)3-9-7)6-1-2-13-5-6/h6H,1-5H2,(H,9,11).
What are the key properties of 1-(oxolan-3-yl)piperazine-2,5-dione?
1-(oxolan-3-yl)piperazine-2,5-dione has a molecular weight of 184.19 g/mol, XLogP of -1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)piperazine-2,5-dione is sourced from PubChem (CID 64873450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).