4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one

C15H20N2O4 — CID 63373690

IUPAC4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one
SMILESCCOc1ccc(OCC(=O)N2CCNC(=O)C2C)cc1
InChIInChI=1S/C15H20N2O4/c1-3-20-12-4-6-13(7-5-12)21-10-14(18)17-9-8-16-15(19)11(17)2/h4-7,11H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyNTBYGZJUOUECME-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.81
Rot. Bonds5

About 4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one

4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one (PubChem CID 63373690) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one
PubChem CID63373690
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one
SMILESCCOc1ccc(OCC(=O)N2CCNC(=O)C2C)cc1
InChIInChI=1S/C15H20N2O4/c1-3-20-12-4-6-13(7-5-12)21-10-14(18)17-9-8-16-15(19)11(17)2/h4-7,11H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyNTBYGZJUOUECME-UHFFFAOYSA-N
XLogP0.81
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one
CID 63078352
3-methyl-4-(2-phenoxyacetyl)piperazin-2-one
CID 63079192
(3R)-4-[2-(4-ethoxyphenyl)acetyl]-3-methyl-1,4-diazepan-2-one
CID 99791509
4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one
CID 63606388
4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one
CID 55217652
ethyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 4944950
3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one
CID 141330643
4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110644941
methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 2919627
1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride
CID 119470131
methyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 47014513
butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate
CID 17096909

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one (CID 63373690) is 4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one is CCOc1ccc(OCC(=O)N2CCNC(=O)C2C)cc1.
What is the InChIKey of 4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one?
The InChIKey is NTBYGZJUOUECME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-20-12-4-6-13(7-5-12)21-10-14(18)17-9-8-16-15(19)11(17)2/h4-7,11H,3,8-10H2,1-2H3,(H,16,19).
What are the key properties of 4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one?
4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one has a molecular weight of 292.34 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 63373690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).