3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one

C16H21ClN2O3 — CID 134018272

IUPAC3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O3/c17-13-1-3-14(4-2-13)21-12-10-18-6-8-19(9-7-18)15-5-11-22-16(15)20/h1-4,15H,5-12H2
InChIKeyJLURHONBIZCRRK-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.65
Rot. Bonds5

About 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one

3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one (PubChem CID 134018272) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one
PubChem CID134018272
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O3/c17-13-1-3-14(4-2-13)21-12-10-18-6-8-19(9-7-18)15-5-11-22-16(15)20/h1-4,15H,5-12H2
InChIKeyJLURHONBIZCRRK-UHFFFAOYSA-N
XLogP1.65
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one?
The IUPAC name of 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one (CID 134018272) is 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one is O=C1OCCC1N1CCN(CCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one?
The InChIKey is JLURHONBIZCRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c17-13-1-3-14(4-2-13)21-12-10-18-6-8-19(9-7-18)15-5-11-22-16(15)20/h1-4,15H,5-12H2.
What are the key properties of 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one?
3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one has a molecular weight of 324.81 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one is sourced from PubChem (CID 134018272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).