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

C15H20FN3O3 — CID 109003873

IUPACethyl 4-[2-(2-fluoroanilino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNc2ccccc2F)CC1
InChIInChI=1S/C15H20FN3O3/c1-2-22-15(21)19-9-7-18(8-10-19)14(20)11-17-13-6-4-3-5-12(13)16/h3-6,17H,2,7-11H2,1H3
InChIKeyVIMXHKIHRKSBKY-UHFFFAOYSA-N
MW309.34 g/mol
LogP1.54
Rot. Bonds4

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

ethyl 4-[2-(2-fluoroanilino)acetyl]piperazine-1-carboxylate (PubChem CID 109003873) has the molecular formula C15H20FN3O3 and a molecular weight of 309.34 g/mol. Its IUPAC name is ethyl 4-[2-(2-fluoroanilino)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-fluoroanilino)acetyl]piperazine-1-carboxylate
PubChem CID109003873
Molecular FormulaC15H20FN3O3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Nameethyl 4-[2-(2-fluoroanilino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNc2ccccc2F)CC1
InChIInChI=1S/C15H20FN3O3/c1-2-22-15(21)19-9-7-18(8-10-19)14(20)11-17-13-6-4-3-5-12(13)16/h3-6,17H,2,7-11H2,1H3
InChIKeyVIMXHKIHRKSBKY-UHFFFAOYSA-N
XLogP1.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[2-(2-fluoroanilino)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

Related Compounds

ethyl 4-[2-(2,4-difluoroanilino)acetyl]piperazine-1-carboxylate
CID 109003914
ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003881
ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2568966
ethyl 4-[2-(quinolin-8-ylamino)acetyl]piperazine-1-carboxylate
CID 109003913
ethyl 4-[2-(3-methoxy-2-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 22307359
ethyl 4-[2-(benzhydrylamino)acetyl]piperazine-1-carboxylate
CID 8596025
ethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate
CID 109003865
ethyl 4-[(2-methylsulfanylphenyl)carbamoyl]piperazine-1-carboxylate
CID 3351841
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
ethyl 4-[3-(2,3,4-trifluoroanilino)propanoyl]piperazine-1-carboxylate
CID 109029120
ethyl 4-[2-(3-acetamidoanilino)acetyl]piperazine-1-carboxylate
CID 109003894
ethyl 4-[3-(2-bromoanilino)propanoyl]piperazine-1-carboxylate
CID 109029092

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-fluoroanilino)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-fluoroanilino)acetyl]piperazine-1-carboxylate (CID 109003873) is ethyl 4-[2-(2-fluoroanilino)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-fluoroanilino)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-fluoroanilino)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNc2ccccc2F)CC1.
What is the InChIKey of ethyl 4-[2-(2-fluoroanilino)acetyl]piperazine-1-carboxylate?
The InChIKey is VIMXHKIHRKSBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3/c1-2-22-15(21)19-9-7-18(8-10-19)14(20)11-17-13-6-4-3-5-12(13)16/h3-6,17H,2,7-11H2,1H3.
What are the key properties of ethyl 4-[2-(2-fluoroanilino)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(2-fluoroanilino)acetyl]piperazine-1-carboxylate has a molecular weight of 309.34 g/mol, XLogP of 1.54, 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-fluoroanilino)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 109003873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).