3-(4-propan-2-ylpiperazin-1-yl)oxolan-2-one

C11H20N2O2 — CID 67986763

IUPAC3-(4-propan-2-ylpiperazin-1-yl)oxolan-2-one
SMILESCC(C)N1CCN(C2CCOC2=O)CC1
InChIInChI=1S/C11H20N2O2/c1-9(2)12-4-6-13(7-5-12)10-3-8-15-11(10)14/h9-10H,3-8H2,1-2H3
InChIKeyFWRYOBIJWMZJEK-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.33
Rot. Bonds2

About 3-(4-propan-2-ylpiperazin-1-yl)oxolan-2-one

3-(4-propan-2-ylpiperazin-1-yl)oxolan-2-one (PubChem CID 67986763) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(4-propan-2-ylpiperazin-1-yl)oxolan-2-one.

Molecular Properties

Compound Name3-(4-propan-2-ylpiperazin-1-yl)oxolan-2-one
PubChem CID67986763
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-(4-propan-2-ylpiperazin-1-yl)oxolan-2-one
SMILESCC(C)N1CCN(C2CCOC2=O)CC1
InChIInChI=1S/C11H20N2O2/c1-9(2)12-4-6-13(7-5-12)10-3-8-15-11(10)14/h9-10H,3-8H2,1-2H3
InChIKeyFWRYOBIJWMZJEK-UHFFFAOYSA-N
XLogP0.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylpiperazin-1-yl)oxolan-2-one?
The IUPAC name of 3-(4-propan-2-ylpiperazin-1-yl)oxolan-2-one (CID 67986763) is 3-(4-propan-2-ylpiperazin-1-yl)oxolan-2-one.
What is the SMILES notation for 3-(4-propan-2-ylpiperazin-1-yl)oxolan-2-one?
The canonical SMILES for 3-(4-propan-2-ylpiperazin-1-yl)oxolan-2-one is CC(C)N1CCN(C2CCOC2=O)CC1.
What is the InChIKey of 3-(4-propan-2-ylpiperazin-1-yl)oxolan-2-one?
The InChIKey is FWRYOBIJWMZJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(2)12-4-6-13(7-5-12)10-3-8-15-11(10)14/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylpiperazin-1-yl)oxolan-2-one?
3-(4-propan-2-ylpiperazin-1-yl)oxolan-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylpiperazin-1-yl)oxolan-2-one is sourced from PubChem (CID 67986763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).