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

C16H20FN3O4 — CID 2568966

IUPACethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)c2ccccc2F)CC1
InChIInChI=1S/C16H20FN3O4/c1-2-24-16(23)20-9-7-19(8-10-20)14(21)11-18-15(22)12-5-3-4-6-13(12)17/h3-6H,2,7-11H2,1H3,(H,18,22)
InChIKeyLAHBHUSLYBLGHE-UHFFFAOYSA-N
MW337.35 g/mol
LogP0.86
Rot. Bonds4

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

ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate (PubChem CID 2568966) has the molecular formula C16H20FN3O4 and a molecular weight of 337.35 g/mol. Its IUPAC name is ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate
PubChem CID2568966
Molecular FormulaC16H20FN3O4
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Nameethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)c2ccccc2F)CC1
InChIInChI=1S/C16H20FN3O4/c1-2-24-16(23)20-9-7-19(8-10-20)14(21)11-18-15(22)12-5-3-4-6-13(12)17/h3-6H,2,7-11H2,1H3,(H,18,22)
InChIKeyLAHBHUSLYBLGHE-UHFFFAOYSA-N
XLogP0.86
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[2-[(2-fluorobenzoyl)amino]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-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2622961
ethyl 4-[2-(2-fluoroanilino)acetyl]piperazine-1-carboxylate
CID 109003873
2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 18120436
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
CID 17451155
2-fluoro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 43045470
N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide
CID 106671856
ethyl 4-[2-[(2,6-dimethoxybenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 110285411
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
CID 27510219
ethyl 4-[2-[(2-fluorobenzoyl)amino]ethylamino]-4-oxobutanoate
CID 108570798
ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate
CID 2622962
ethyl 4-[2-[2-[(2-ethoxybenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 7807752
2-(4-ethoxycarbonylpiperazin-1-yl)-5-[(2-fluorobenzoyl)amino]benzoic acid
CID 46362977

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate (CID 2568966) is ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNC(=O)c2ccccc2F)CC1.
What is the InChIKey of ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate?
The InChIKey is LAHBHUSLYBLGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O4/c1-2-24-16(23)20-9-7-19(8-10-20)14(21)11-18-15(22)12-5-3-4-6-13(12)17/h3-6H,2,7-11H2,1H3,(H,18,22).
What are the key properties of ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate has a molecular weight of 337.35 g/mol, XLogP of 0.86, 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-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 2568966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).