4-(4-ethylpiperazin-1-yl)oxolan-2-one

C10H18N2O2 — CID 122494867

IUPAC4-(4-ethylpiperazin-1-yl)oxolan-2-one
SMILESCCN1CCN(C2COC(=O)C2)CC1
InChIInChI=1S/C10H18N2O2/c1-2-11-3-5-12(6-4-11)9-7-10(13)14-8-9/h9H,2-8H2,1H3
InChIKeyXDRZXRYEIFCDFR-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.06
Rot. Bonds2

About 4-(4-ethylpiperazin-1-yl)oxolan-2-one

4-(4-ethylpiperazin-1-yl)oxolan-2-one (PubChem CID 122494867) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)oxolan-2-one.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)oxolan-2-one
PubChem CID122494867
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-(4-ethylpiperazin-1-yl)oxolan-2-one
SMILESCCN1CCN(C2COC(=O)C2)CC1
InChIInChI=1S/C10H18N2O2/c1-2-11-3-5-12(6-4-11)9-7-10(13)14-8-9/h9H,2-8H2,1H3
InChIKeyXDRZXRYEIFCDFR-UHFFFAOYSA-N
XLogP-0.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)oxolan-2-one?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)oxolan-2-one (CID 122494867) is 4-(4-ethylpiperazin-1-yl)oxolan-2-one.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)oxolan-2-one?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)oxolan-2-one is CCN1CCN(C2COC(=O)C2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)oxolan-2-one?
The InChIKey is XDRZXRYEIFCDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-11-3-5-12(6-4-11)9-7-10(13)14-8-9/h9H,2-8H2,1H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)oxolan-2-one?
4-(4-ethylpiperazin-1-yl)oxolan-2-one has a molecular weight of 198.27 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)oxolan-2-one is sourced from PubChem (CID 122494867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).