3-(oxolan-3-yl)-1-piperazin-1-ylpropane-1,2-dione

C11H18N2O3 — CID 82509862

IUPAC3-(oxolan-3-yl)-1-piperazin-1-ylpropane-1,2-dione
SMILESO=C(CC1CCOC1)C(=O)N1CCNCC1
InChIInChI=1S/C11H18N2O3/c14-10(7-9-1-6-16-8-9)11(15)13-4-2-12-3-5-13/h9,12H,1-8H2
InChIKeyYDXOLWVPISVTBI-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.59
Rot. Bonds3

About 3-(oxolan-3-yl)-1-piperazin-1-ylpropane-1,2-dione

3-(oxolan-3-yl)-1-piperazin-1-ylpropane-1,2-dione (PubChem CID 82509862) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-1-piperazin-1-ylpropane-1,2-dione.

Molecular Properties

Compound Name3-(oxolan-3-yl)-1-piperazin-1-ylpropane-1,2-dione
PubChem CID82509862
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-(oxolan-3-yl)-1-piperazin-1-ylpropane-1,2-dione
SMILESO=C(CC1CCOC1)C(=O)N1CCNCC1
InChIInChI=1S/C11H18N2O3/c14-10(7-9-1-6-16-8-9)11(15)13-4-2-12-3-5-13/h9,12H,1-8H2
InChIKeyYDXOLWVPISVTBI-UHFFFAOYSA-N
XLogP-0.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-1-piperazin-1-ylpropane-1,2-dione
CID 82505588
3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120982089
2-[methyl-[2-(oxolan-3-yl)ethyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 120835931
1-morpholin-4-yl-2-piperazin-1-ylethane-1,2-dione
CID 7131953
oxolan-3-ylmethyl 2-piperazin-1-ylacetate
CID 62311858
1-(oxan-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986313
N-(oxolan-3-ylmethyl)-1-piperidin-4-ylmethanamine
CID 62825418
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240
1-(oxolan-3-yl)-2-piperazin-1-ylethanone
CID 104750458
morpholin-3-yl-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone
CID 119897502
N-methyl-2-(oxolan-3-yl)-N-pyrrolidin-3-ylacetamide
CID 119551379
2-oxo-2-piperazin-1-ylacetic acid
CID 2050152

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-1-piperazin-1-ylpropane-1,2-dione?
The IUPAC name of 3-(oxolan-3-yl)-1-piperazin-1-ylpropane-1,2-dione (CID 82509862) is 3-(oxolan-3-yl)-1-piperazin-1-ylpropane-1,2-dione.
What is the SMILES notation for 3-(oxolan-3-yl)-1-piperazin-1-ylpropane-1,2-dione?
The canonical SMILES for 3-(oxolan-3-yl)-1-piperazin-1-ylpropane-1,2-dione is O=C(CC1CCOC1)C(=O)N1CCNCC1.
What is the InChIKey of 3-(oxolan-3-yl)-1-piperazin-1-ylpropane-1,2-dione?
The InChIKey is YDXOLWVPISVTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10(7-9-1-6-16-8-9)11(15)13-4-2-12-3-5-13/h9,12H,1-8H2.
What are the key properties of 3-(oxolan-3-yl)-1-piperazin-1-ylpropane-1,2-dione?
3-(oxolan-3-yl)-1-piperazin-1-ylpropane-1,2-dione has a molecular weight of 226.28 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-1-piperazin-1-ylpropane-1,2-dione is sourced from PubChem (CID 82509862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).