methyl 2-[1-[2-(4-fluorophenoxy)ethyl]-3-oxopiperazin-2-yl]acetate

C15H19FN2O4 — CID 47010477

IUPACmethyl 2-[1-[2-(4-fluorophenoxy)ethyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1CCOc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O4/c1-21-14(19)10-13-15(20)17-6-7-18(13)8-9-22-12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3,(H,17,20)
InChIKeyOFEUKNZUFMMHHX-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.57
Rot. Bonds6

About methyl 2-[1-[2-(4-fluorophenoxy)ethyl]-3-oxopiperazin-2-yl]acetate

methyl 2-[1-[2-(4-fluorophenoxy)ethyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 47010477) has the molecular formula C15H19FN2O4 and a molecular weight of 310.32 g/mol. Its IUPAC name is methyl 2-[1-[2-(4-fluorophenoxy)ethyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(4-fluorophenoxy)ethyl]-3-oxopiperazin-2-yl]acetate
PubChem CID47010477
Molecular FormulaC15H19FN2O4
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Namemethyl 2-[1-[2-(4-fluorophenoxy)ethyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1CCOc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O4/c1-21-14(19)10-13-15(20)17-6-7-18(13)8-9-22-12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3,(H,17,20)
InChIKeyOFEUKNZUFMMHHX-UHFFFAOYSA-N
XLogP0.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(4-fluorophenoxy)ethyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[2-(4-fluorophenoxy)ethyl]-3-oxopiperazin-2-yl]acetate (CID 47010477) is methyl 2-[1-[2-(4-fluorophenoxy)ethyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(4-fluorophenoxy)ethyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-(4-fluorophenoxy)ethyl]-3-oxopiperazin-2-yl]acetate is COC(=O)CC1C(=O)NCCN1CCOc1ccc(F)cc1.
What is the InChIKey of methyl 2-[1-[2-(4-fluorophenoxy)ethyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is OFEUKNZUFMMHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4/c1-21-14(19)10-13-15(20)17-6-7-18(13)8-9-22-12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3,(H,17,20).
What are the key properties of methyl 2-[1-[2-(4-fluorophenoxy)ethyl]-3-oxopiperazin-2-yl]acetate?
methyl 2-[1-[2-(4-fluorophenoxy)ethyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 310.32 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(4-fluorophenoxy)ethyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 47010477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).