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

C16H22N2O3 — CID 894934

IUPACethyl 4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C16H22N2O3/c1-3-21-16(20)18-10-8-17(9-11-18)15(19)12-14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3
InChIKeySUXDWDAEDPXFNR-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.84
Rot. Bonds3

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

ethyl 4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxylate (PubChem CID 894934) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxylate
PubChem CID894934
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C16H22N2O3/c1-3-21-16(20)18-10-8-17(9-11-18)15(19)12-14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3
InChIKeySUXDWDAEDPXFNR-UHFFFAOYSA-N
XLogP1.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxylate (CID 894934) is ethyl 4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxylate?
The InChIKey is SUXDWDAEDPXFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-21-16(20)18-10-8-17(9-11-18)15(19)12-14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3.
What are the key properties of ethyl 4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 1.84, 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-methylphenyl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 894934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).