methyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate

C17H20N2O6 — CID 47014513

IUPACmethyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)COc1ccc(C(C)=O)cc1
InChIInChI=1S/C17H20N2O6/c1-11(20)12-3-5-13(6-4-12)25-10-15(21)19-8-7-18-17(23)14(19)9-16(22)24-2/h3-6,14H,7-10H2,1-2H3,(H,18,23)
InChIKeyYKNRBMJIGBLXTC-UHFFFAOYSA-N
MW348.36 g/mol
LogP0.16
Rot. Bonds6

About methyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate

methyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 47014513) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is methyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
PubChem CID47014513
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Namemethyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)COc1ccc(C(C)=O)cc1
InChIInChI=1S/C17H20N2O6/c1-11(20)12-3-5-13(6-4-12)25-10-15(21)19-8-7-18-17(23)14(19)9-16(22)24-2/h3-6,14H,7-10H2,1-2H3,(H,18,23)
InChIKeyYKNRBMJIGBLXTC-UHFFFAOYSA-N
XLogP0.16
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 2919627
methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate
CID 47005065
ethyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 4944950
methyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate
CID 47005060
2-methoxyethyl 2-[1-[4-(2-methylprop-2-enoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17123814
methyl 2-[3-oxo-1-[[4-(2-phenoxyethoxy)benzoyl]carbamothioyl]piperazin-2-yl]acetate
CID 4953069
3-methylbutyl 2-[1-[2-(4-bromophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17079734
cyclohexyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 4945035
methyl 2-[1-[2-(4-fluorophenoxy)ethyl]-3-oxopiperazin-2-yl]acetate
CID 47010477
butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate
CID 17096909
2-methoxyethyl 2-[3-oxo-1-[(4-pentoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate
CID 4959386
2-phenoxyethyl 2-[1-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-3-oxopiperazin-2-yl]acetate
CID 17093272

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate (CID 47014513) is methyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate is COC(=O)CC1C(=O)NCCN1C(=O)COc1ccc(C(C)=O)cc1.
What is the InChIKey of methyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is YKNRBMJIGBLXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6/c1-11(20)12-3-5-13(6-4-12)25-10-15(21)19-8-7-18-17(23)14(19)9-16(22)24-2/h3-6,14H,7-10H2,1-2H3,(H,18,23).
What are the key properties of methyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate?
methyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 348.36 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 47014513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).