ethyl 4-[2-(3-carbamoylphenoxy)acetyl]piperazine-1-carboxylate

C16H21N3O5 — CID 51088119

IUPACethyl 4-[2-(3-carbamoylphenoxy)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C16H21N3O5/c1-2-23-16(22)19-8-6-18(7-9-19)14(20)11-24-13-5-3-4-12(10-13)15(17)21/h3-5,10H,2,6-9,11H2,1H3,(H2,17,21)
InChIKeyKACFQFVQQOLUSA-UHFFFAOYSA-N
MW335.36 g/mol
LogP0.47
Rot. Bonds5

About ethyl 4-[2-(3-carbamoylphenoxy)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(3-carbamoylphenoxy)acetyl]piperazine-1-carboxylate (PubChem CID 51088119) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is ethyl 4-[2-(3-carbamoylphenoxy)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(3-carbamoylphenoxy)acetyl]piperazine-1-carboxylate
PubChem CID51088119
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Nameethyl 4-[2-(3-carbamoylphenoxy)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C16H21N3O5/c1-2-23-16(22)19-8-6-18(7-9-19)14(20)11-24-13-5-3-4-12(10-13)15(17)21/h3-5,10H,2,6-9,11H2,1H3,(H2,17,21)
InChIKeyKACFQFVQQOLUSA-UHFFFAOYSA-N
XLogP0.47
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 892980
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270
ethyl 4-[2-(3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate
CID 3334137
ethyl 4-[2-(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate
CID 1080836
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
CID 112786434
2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone
CID 119376034
tert-butyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110673124
ethyl 4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 807890
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
1-[4-[2-(3-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796496

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(3-carbamoylphenoxy)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(3-carbamoylphenoxy)acetyl]piperazine-1-carboxylate (CID 51088119) is ethyl 4-[2-(3-carbamoylphenoxy)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(3-carbamoylphenoxy)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(3-carbamoylphenoxy)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)COc2cccc(C(N)=O)c2)CC1.
What is the InChIKey of ethyl 4-[2-(3-carbamoylphenoxy)acetyl]piperazine-1-carboxylate?
The InChIKey is KACFQFVQQOLUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-2-23-16(22)19-8-6-18(7-9-19)14(20)11-24-13-5-3-4-12(10-13)15(17)21/h3-5,10H,2,6-9,11H2,1H3,(H2,17,21).
What are the key properties of ethyl 4-[2-(3-carbamoylphenoxy)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(3-carbamoylphenoxy)acetyl]piperazine-1-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(3-carbamoylphenoxy)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 51088119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).