ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate

C17H25N3O3 — CID 108995538

IUPACethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN1CCN(CC)CC1
InChIInChI=1S/C17H25N3O3/c1-3-19-9-11-20(12-10-19)13-16(21)18-15-8-6-5-7-14(15)17(22)23-4-2/h5-8H,3-4,9-13H2,1-2H3,(H,18,21)
InChIKeyRGTYJVBXCPOEGO-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.44
Rot. Bonds6

About ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate

ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate (PubChem CID 108995538) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate
PubChem CID108995538
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Nameethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN1CCN(CC)CC1
InChIInChI=1S/C17H25N3O3/c1-3-19-9-11-20(12-10-19)13-16(21)18-15-8-6-5-7-14(15)17(22)23-4-2/h5-8H,3-4,9-13H2,1-2H3,(H,18,21)
InChIKeyRGTYJVBXCPOEGO-UHFFFAOYSA-N
XLogP1.44
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 8703709
ethyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 8530322
ethyl 2-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzoate
CID 9262168
ethyl 2-[[3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108961005
ethyl 2-(propanoylamino)benzoate
CID 4190428
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 892472
N-[2-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 16783173
methyl 2-[[2-(4-formylpiperazin-1-yl)acetyl]amino]benzoate
CID 108995831
ethyl 2-[[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetyl]amino]benzoate
CID 90495468
ethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate
CID 8583347
ethyl 2-[[2-(4-ethylpiperazin-1-yl)pyridine-4-carbonyl]amino]benzoate
CID 109168819

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate (CID 108995538) is ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CN1CCN(CC)CC1.
What is the InChIKey of ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate?
The InChIKey is RGTYJVBXCPOEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-19-9-11-20(12-10-19)13-16(21)18-15-8-6-5-7-14(15)17(22)23-4-2/h5-8H,3-4,9-13H2,1-2H3,(H,18,21).
What are the key properties of ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate?
ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate has a molecular weight of 319.41 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 108995538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).