[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate

C21H22F2N4O4 — CID 38067417

IUPAC[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)OCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H22F2N4O4/c22-15-4-5-16(17(23)13-15)21(30)25-8-6-20(29)31-14-19(28)27-11-9-26(10-12-27)18-3-1-2-7-24-18/h1-5,7,13H,6,8-12,14H2,(H,25,30)
InChIKeyLDEXVFVMZLGOIJ-UHFFFAOYSA-N
MW432.43 g/mol
LogP1.37
Rot. Bonds7

About [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate

[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate (PubChem CID 38067417) has the molecular formula C21H22F2N4O4 and a molecular weight of 432.43 g/mol. Its IUPAC name is [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
PubChem CID38067417
Molecular FormulaC21H22F2N4O4
Molecular Weight432.43 g/mol
Exact Mass432.16
IUPAC Name[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)OCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H22F2N4O4/c22-15-4-5-16(17(23)13-15)21(30)25-8-6-20(29)31-14-19(28)27-11-9-26(10-12-27)18-3-1-2-7-24-18/h1-5,7,13H,6,8-12,14H2,(H,25,30)
InChIKeyLDEXVFVMZLGOIJ-UHFFFAOYSA-N
XLogP1.37
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate 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

[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(1,3-benzodioxol-5-yl)propanoate
CID 38349515
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 30317027
2,4-difluoro-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 55513642
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 30316161
2,4-difluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 51164132
2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
CID 119870745
7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride
CID 119870734
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 34715649
2,4-difluoro-N-[4-oxo-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]butyl]benzamide
CID 55931924
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] anthracene-9-carboxylate
CID 27012435
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate
CID 18157810

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate?
The IUPAC name of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate (CID 38067417) is [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate.
What is the SMILES notation for [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate?
The canonical SMILES for [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate is O=C(CCNC(=O)c1ccc(F)cc1F)OCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate?
The InChIKey is LDEXVFVMZLGOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O4/c22-15-4-5-16(17(23)13-15)21(30)25-8-6-20(29)31-14-19(28)27-11-9-26(10-12-27)18-3-1-2-7-24-18/h1-5,7,13H,6,8-12,14H2,(H,25,30).
What are the key properties of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate?
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate has a molecular weight of 432.43 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate is sourced from PubChem (CID 38067417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).