ethyl 4-(4-benzoyl-2-fluorophenyl)piperazine-1-carboxylate

C20H21FN2O3 — CID 544900

IUPACethyl 4-(4-benzoyl-2-fluorophenyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(C(=O)c3ccccc3)cc2F)CC1
InChIInChI=1S/C20H21FN2O3/c1-2-26-20(25)23-12-10-22(11-13-23)18-9-8-16(14-17(18)21)19(24)15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3
InChIKeyIHSAUBVJPLPYHE-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.34
Rot. Bonds4

About ethyl 4-(4-benzoyl-2-fluorophenyl)piperazine-1-carboxylate

ethyl 4-(4-benzoyl-2-fluorophenyl)piperazine-1-carboxylate (PubChem CID 544900) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is ethyl 4-(4-benzoyl-2-fluorophenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-benzoyl-2-fluorophenyl)piperazine-1-carboxylate
PubChem CID544900
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Nameethyl 4-(4-benzoyl-2-fluorophenyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(C(=O)c3ccccc3)cc2F)CC1
InChIInChI=1S/C20H21FN2O3/c1-2-26-20(25)23-12-10-22(11-13-23)18-9-8-16(14-17(18)21)19(24)15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3
InChIKeyIHSAUBVJPLPYHE-UHFFFAOYSA-N
XLogP3.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(4-benzoyl-2-fluorophenyl)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-(4-benzoyl-2-fluorophenyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-benzoyl-2-fluorophenyl)piperazine-1-carboxylate (CID 544900) is ethyl 4-(4-benzoyl-2-fluorophenyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-benzoyl-2-fluorophenyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-benzoyl-2-fluorophenyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc(C(=O)c3ccccc3)cc2F)CC1.
What is the InChIKey of ethyl 4-(4-benzoyl-2-fluorophenyl)piperazine-1-carboxylate?
The InChIKey is IHSAUBVJPLPYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-2-26-20(25)23-12-10-22(11-13-23)18-9-8-16(14-17(18)21)19(24)15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3.
What are the key properties of ethyl 4-(4-benzoyl-2-fluorophenyl)piperazine-1-carboxylate?
ethyl 4-(4-benzoyl-2-fluorophenyl)piperazine-1-carboxylate has a molecular weight of 356.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-benzoyl-2-fluorophenyl)piperazine-1-carboxylate is sourced from PubChem (CID 544900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).