ethyl 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate

C17H23Cl2N3O3 — CID 8932289

IUPACethyl 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)NCCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H23Cl2N3O3/c1-2-25-17(24)22-9-7-21(8-10-22)12-16(23)20-6-5-13-3-4-14(18)11-15(13)19/h3-4,11H,2,5-10,12H2,1H3,(H,20,23)
InChIKeyZLZPLQBOPKCILK-UHFFFAOYSA-N
MW388.30 g/mol
LogP2.43
Rot. Bonds6

About ethyl 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate

ethyl 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 8932289) has the molecular formula C17H23Cl2N3O3 and a molecular weight of 388.30 g/mol. Its IUPAC name is ethyl 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate
PubChem CID8932289
Molecular FormulaC17H23Cl2N3O3
Molecular Weight388.30 g/mol
Exact Mass387.11
IUPAC Nameethyl 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)NCCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H23Cl2N3O3/c1-2-25-17(24)22-9-7-21(8-10-22)12-16(23)20-6-5-13-3-4-14(18)11-15(13)19/h3-4,11H,2,5-10,12H2,1H3,(H,20,23)
InChIKeyZLZPLQBOPKCILK-UHFFFAOYSA-N
XLogP2.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate (CID 8932289) is ethyl 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(=O)NCCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of ethyl 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is ZLZPLQBOPKCILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O3/c1-2-25-17(24)22-9-7-21(8-10-22)12-16(23)20-6-5-13-3-4-14(18)11-15(13)19/h3-4,11H,2,5-10,12H2,1H3,(H,20,23).
What are the key properties of ethyl 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate?
ethyl 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 388.30 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 8932289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).