3-(2,5-diethylpiperazin-1-yl)oxolan-2-one

C12H22N2O2 — CID 64978737

IUPAC3-(2,5-diethylpiperazin-1-yl)oxolan-2-one
SMILESCCC1CN(C2CCOC2=O)C(CC)CN1
InChIInChI=1S/C12H22N2O2/c1-3-9-8-14(10(4-2)7-13-9)11-5-6-16-12(11)15/h9-11,13H,3-8H2,1-2H3
InChIKeyXUUASXOSSSBMQJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.76
Rot. Bonds3

About 3-(2,5-diethylpiperazin-1-yl)oxolan-2-one

3-(2,5-diethylpiperazin-1-yl)oxolan-2-one (PubChem CID 64978737) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(2,5-diethylpiperazin-1-yl)oxolan-2-one.

Molecular Properties

Compound Name3-(2,5-diethylpiperazin-1-yl)oxolan-2-one
PubChem CID64978737
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(2,5-diethylpiperazin-1-yl)oxolan-2-one
SMILESCCC1CN(C2CCOC2=O)C(CC)CN1
InChIInChI=1S/C12H22N2O2/c1-3-9-8-14(10(4-2)7-13-9)11-5-6-16-12(11)15/h9-11,13H,3-8H2,1-2H3
InChIKeyXUUASXOSSSBMQJ-UHFFFAOYSA-N
XLogP0.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-diethyl-1-(oxolan-3-yl)piperazine
CID 64843081
1-(2,2-diethyloxan-4-yl)-2,5-diethylpiperazine
CID 83039148
2,5-diethyl-1-(1-methylpyrrolidin-3-yl)piperazine
CID 64977928
2,5-diethyl-1-(2-methoxycyclopentyl)piperazine
CID 64946212
2,5-diethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 64977779
2,5-diethyl-1-(3-methylcyclohexyl)piperazine
CID 64934041
1-[2-(2,5-diethylpiperazin-1-yl)ethyl]imidazolidin-2-one
CID 64978611
2,5-diethyl-1-(oxan-4-ylmethyl)piperazine
CID 64842307
3-ethyl-1-(2-oxooxolan-3-yl)piperidin-4-one
CID 114508850
2,5-diethyl-N-methylpiperazine-1-sulfonamide
CID 114810900
1-(difluoromethylsulfonyl)-2,5-diethylpiperazine
CID 64978816
3-[2-(aminomethyl)pyrrolidin-1-yl]oxolan-2-one
CID 115312697

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-diethylpiperazin-1-yl)oxolan-2-one?
The IUPAC name of 3-(2,5-diethylpiperazin-1-yl)oxolan-2-one (CID 64978737) is 3-(2,5-diethylpiperazin-1-yl)oxolan-2-one.
What is the SMILES notation for 3-(2,5-diethylpiperazin-1-yl)oxolan-2-one?
The canonical SMILES for 3-(2,5-diethylpiperazin-1-yl)oxolan-2-one is CCC1CN(C2CCOC2=O)C(CC)CN1.
What is the InChIKey of 3-(2,5-diethylpiperazin-1-yl)oxolan-2-one?
The InChIKey is XUUASXOSSSBMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-9-8-14(10(4-2)7-13-9)11-5-6-16-12(11)15/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 3-(2,5-diethylpiperazin-1-yl)oxolan-2-one?
3-(2,5-diethylpiperazin-1-yl)oxolan-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-diethylpiperazin-1-yl)oxolan-2-one is sourced from PubChem (CID 64978737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).