ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate

C16H20ClN3O4 — CID 2622961

IUPACethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H20ClN3O4/c1-2-24-16(23)20-9-7-19(8-10-20)14(21)11-18-15(22)12-5-3-4-6-13(12)17/h3-6H,2,7-11H2,1H3,(H,18,22)
InChIKeyKCSHZFOXJVYBIV-UHFFFAOYSA-N
MW353.81 g/mol
LogP1.37
Rot. Bonds4

About ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate (PubChem CID 2622961) has the molecular formula C16H20ClN3O4 and a molecular weight of 353.81 g/mol. Its IUPAC name is ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate
PubChem CID2622961
Molecular FormulaC16H20ClN3O4
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC Nameethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H20ClN3O4/c1-2-24-16(23)20-9-7-19(8-10-20)14(21)11-18-15(22)12-5-3-4-6-13(12)17/h3-6H,2,7-11H2,1H3,(H,18,22)
InChIKeyKCSHZFOXJVYBIV-UHFFFAOYSA-N
XLogP1.37
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2568966
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543359
ethyl 4-[2-[(2,6-dimethoxybenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 110285411
ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate
CID 2622962
2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 8891065
2-chloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 46453696
ethyl 4-[2-[2-[(2-ethoxybenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 7807752
2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958295
ethyl 4-[2-(benzhydrylamino)acetyl]piperazine-1-carboxylate
CID 8596025
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 7974806
ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
CID 91637595

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate (CID 2622961) is ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate?
The InChIKey is KCSHZFOXJVYBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4/c1-2-24-16(23)20-9-7-19(8-10-20)14(21)11-18-15(22)12-5-3-4-6-13(12)17/h3-6H,2,7-11H2,1H3,(H,18,22).
What are the key properties of ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate has a molecular weight of 353.81 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 2622961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).