methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate

C22H24N2O6 — CID 47005065

IUPACmethyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H24N2O6/c1-28-21(26)13-19-22(27)23-11-12-24(19)20(25)15-30-18-9-7-17(8-10-18)29-14-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3,(H,23,27)
InChIKeyCPKWLNJRRFZKQF-UHFFFAOYSA-N
MW412.44 g/mol
LogP1.53
Rot. Bonds8

About methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate

methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate (PubChem CID 47005065) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate
PubChem CID47005065
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Namemethyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H24N2O6/c1-28-21(26)13-19-22(27)23-11-12-24(19)20(25)15-30-18-9-7-17(8-10-18)29-14-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3,(H,23,27)
InChIKeyCPKWLNJRRFZKQF-UHFFFAOYSA-N
XLogP1.53
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 2919627
methyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 47014513
benzyl 2-[(2R)-1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 40768017
methyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate
CID 47005060
butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate
CID 17096909
2-phenoxyethyl 2-[1-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-3-oxopiperazin-2-yl]acetate
CID 17093272
ethyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 4944950
methyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate
CID 43886925
methyl 2-[3-oxo-1-[[4-(2-phenoxyethoxy)benzoyl]carbamothioyl]piperazin-2-yl]acetate
CID 4953069
methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
CID 656047
benzyl 2-[1-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17350142
3-methyl-4-(2-phenoxyacetyl)piperazin-2-one
CID 63079192

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate?
The IUPAC name of methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate (CID 47005065) is methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate is COC(=O)CC1C(=O)NCCN1C(=O)COc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate?
The InChIKey is CPKWLNJRRFZKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-28-21(26)13-19-22(27)23-11-12-24(19)20(25)15-30-18-9-7-17(8-10-18)29-14-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3,(H,23,27).
What are the key properties of methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate?
methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate has a molecular weight of 412.44 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate is sourced from PubChem (CID 47005065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).