ethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate

C15H22N4O3 — CID 59648075

IUPACethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ccccc1N1CCNCC1
InChIInChI=1S/C15H22N4O3/c1-2-22-14(20)11-17-15(21)18-12-5-3-4-6-13(12)19-9-7-16-8-10-19/h3-6,16H,2,7-11H2,1H3,(H2,17,18,21)
InChIKeyIVQUNTTWFIFONQ-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.78
Rot. Bonds5

About ethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate

ethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate (PubChem CID 59648075) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is ethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate
PubChem CID59648075
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Nameethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ccccc1N1CCNCC1
InChIInChI=1S/C15H22N4O3/c1-2-22-14(20)11-17-15(21)18-12-5-3-4-6-13(12)19-9-7-16-8-10-19/h3-6,16H,2,7-11H2,1H3,(H2,17,18,21)
InChIKeyIVQUNTTWFIFONQ-UHFFFAOYSA-N
XLogP0.78
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(2-aminophenyl)piperazine-1-carboxylate;ethyl 2-isocyanatoacetate;ethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate;methane;dihydrochloride
CID 159738592
ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate
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ethyl 2-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyrrolidin-1-ylphenyl]carbamoylamino]acetate
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ethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate
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1-(2-morpholin-4-ylphenyl)-3-propylurea
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3-[[2-(azepan-1-yl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
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CID 52594776

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate (CID 59648075) is ethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1ccccc1N1CCNCC1.
What is the InChIKey of ethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate?
The InChIKey is IVQUNTTWFIFONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-2-22-14(20)11-17-15(21)18-12-5-3-4-6-13(12)19-9-7-16-8-10-19/h3-6,16H,2,7-11H2,1H3,(H2,17,18,21).
What are the key properties of ethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate?
ethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate has a molecular weight of 306.37 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate is sourced from PubChem (CID 59648075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).