ethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate

C15H19N3O4 — CID 2956537

IUPACethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CC2NCCNC2=O)cc1
InChIInChI=1S/C15H19N3O4/c1-2-22-15(21)10-3-5-11(6-4-10)18-13(19)9-12-14(20)17-8-7-16-12/h3-6,12,16H,2,7-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyDYCSYFGMOVSWAT-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.28
Rot. Bonds5

About ethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate

ethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate (PubChem CID 2956537) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is ethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate
PubChem CID2956537
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Nameethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CC2NCCNC2=O)cc1
InChIInChI=1S/C15H19N3O4/c1-2-22-15(21)10-3-5-11(6-4-10)18-13(19)9-12-14(20)17-8-7-16-12/h3-6,12,16H,2,7-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyDYCSYFGMOVSWAT-UHFFFAOYSA-N
XLogP0.28
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 941045
N-(4-acetamidophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 7273614
ethyl 2-[[2-[(2R)-3-oxopiperazin-2-yl]acetyl]amino]benzoate
CID 7273597
2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 6927912
ethyl 4-[[2-[(2S)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetyl]amino]benzoate
CID 7126577
ethyl 4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 1247940
ethyl 4-[[2-[(2R)-2-(2-methoxy-2-oxoethyl)-3-oxopiperazin-1-yl]acetyl]amino]benzoate
CID 8561303
ethyl 4-[[2-[1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetyl]amino]benzoate
CID 43832296
ethyl (3R,6S)-6-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate
CID 41281827
ethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 60647219
methyl 4-[[2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetyl]amino]benzoate
CID 6923407
ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate (CID 2956537) is ethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CC2NCCNC2=O)cc1.
What is the InChIKey of ethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate?
The InChIKey is DYCSYFGMOVSWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-2-22-15(21)10-3-5-11(6-4-10)18-13(19)9-12-14(20)17-8-7-16-12/h3-6,12,16H,2,7-9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of ethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate?
ethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate has a molecular weight of 305.33 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate is sourced from PubChem (CID 2956537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).