N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

C21H24FN3O4 — CID 55910128

IUPACN-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)c(C)o1
InChIInChI=1S/C21H24FN3O4/c1-14-11-18(15(2)29-14)21(28)23-13-20(27)25-9-7-24(8-10-25)19(26)12-16-3-5-17(22)6-4-16/h3-6,11H,7-10,12-13H2,1-2H3,(H,23,28)
InChIKeyDPTYMPIWEZXUDK-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.68
Rot. Bonds5

About N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 55910128) has the molecular formula C21H24FN3O4 and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID55910128
Molecular FormulaC21H24FN3O4
Molecular Weight401.44 g/mol
Exact Mass401.18
IUPAC NameN-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)c(C)o1
InChIInChI=1S/C21H24FN3O4/c1-14-11-18(15(2)29-14)21(28)23-13-20(27)25-9-7-24(8-10-25)19(26)12-16-3-5-17(22)6-4-16/h3-6,11H,7-10,12-13H2,1-2H3,(H,23,28)
InChIKeyDPTYMPIWEZXUDK-UHFFFAOYSA-N
XLogP1.68
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide 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

N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 55851005
N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55870206
N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 86822231
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55882494
4-(2,5-dimethylfuran-3-carbonyl)-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperazine-1-carboxamide
CID 47050868
N-[[1-[2-(4-fluorophenyl)-2-hydroxyacetyl]piperidin-4-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 131938017
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 110907232
methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 110365716
1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110365702
1-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110802701
5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 7494653

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (CID 55910128) is N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)c(C)o1.
What is the InChIKey of N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is DPTYMPIWEZXUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4/c1-14-11-18(15(2)29-14)21(28)23-13-20(27)25-9-7-24(8-10-25)19(26)12-16-3-5-17(22)6-4-16/h3-6,11H,7-10,12-13H2,1-2H3,(H,23,28).
What are the key properties of N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 55910128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).