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

C15H19ClN2O3 — CID 719933

IUPACethyl 4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN2O3/c1-2-21-15(20)18-9-7-17(8-10-18)14(19)11-12-3-5-13(16)6-4-12/h3-6H,2,7-11H2,1H3
InChIKeyQJFPIEHRLDXLGG-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.18
Rot. Bonds3

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

ethyl 4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxylate (PubChem CID 719933) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is ethyl 4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxylate
PubChem CID719933
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Nameethyl 4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN2O3/c1-2-21-15(20)18-9-7-17(8-10-18)14(19)11-12-3-5-13(16)6-4-12/h3-6H,2,7-11H2,1H3
InChIKeyQJFPIEHRLDXLGG-UHFFFAOYSA-N
XLogP2.18
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxylate (CID 719933) is ethyl 4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxylate?
The InChIKey is QJFPIEHRLDXLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-2-21-15(20)18-9-7-17(8-10-18)14(19)11-12-3-5-13(16)6-4-12/h3-6H,2,7-11H2,1H3.
What are the key properties of ethyl 4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxylate has a molecular weight of 310.78 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 719933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).