[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate

C22H25N3O6 — CID 27237321

IUPAC[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H25N3O6/c1-29-18-9-5-6-10-19(18)30-16-21(27)31-15-20(26)24-11-13-25(14-12-24)22(28)23-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,23,28)
InChIKeyMJUOYXYXAPWKCX-UHFFFAOYSA-N
MW427.46 g/mol
LogP1.99
Rot. Bonds7

About [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate

[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate (PubChem CID 27237321) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate
PubChem CID27237321
Molecular FormulaC22H25N3O6
Molecular Weight427.46 g/mol
Exact Mass427.17
IUPAC Name[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H25N3O6/c1-29-18-9-5-6-10-19(18)30-16-21(27)31-15-20(26)24-11-13-25(14-12-24)22(28)23-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,23,28)
InChIKeyMJUOYXYXAPWKCX-UHFFFAOYSA-N
XLogP1.99
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate with MolForge

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Related Compounds

4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 51324414
2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050367
4-[2-(2-methoxyphenoxy)acetyl]piperazine-1-carbothioamide
CID 2050365
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-methoxypyridine-3-carboxylate
CID 38702786
cis-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 27213504
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-methylpyrazine-2-carboxylate
CID 27212790
[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate
CID 34376747
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 27271014
4-[2-(2-ethylphenoxy)acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 55599509
4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide
CID 110812902
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate?
The IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate (CID 27237321) is [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate is COc1ccccc1OCC(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate?
The InChIKey is MJUOYXYXAPWKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6/c1-29-18-9-5-6-10-19(18)30-16-21(27)31-15-20(26)24-11-13-25(14-12-24)22(28)23-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,23,28).
What are the key properties of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate?
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate has a molecular weight of 427.46 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 27237321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).