N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C22H26N4O2S — CID 42311249

IUPACN-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N4O2S/c27-21(15-26-17-29-16-22(26)28)23-19-6-8-20(9-7-19)25-12-10-24(11-13-25)14-18-4-2-1-3-5-18/h1-9H,10-17H2,(H,23,27)
InChIKeyZVGDFOKSHPIOGD-UHFFFAOYSA-N
MW410.54 g/mol
LogP2.48
Rot. Bonds6

About N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 42311249) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID42311249
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N4O2S/c27-21(15-26-17-29-16-22(26)28)23-19-6-8-20(9-7-19)25-12-10-24(11-13-25)14-18-4-2-1-3-5-18/h1-9H,10-17H2,(H,23,27)
InChIKeyZVGDFOKSHPIOGD-UHFFFAOYSA-N
XLogP2.48
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55934028
2-[4-[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55462140
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 30253772
2-[[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 26579098
2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
CID 103791471
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 37121401
[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 2-chlorobenzoate
CID 46508962
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55699535
(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide
CID 1128763
1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 2809988
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodobenzamide
CID 2945842

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 42311249) is N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is O=C(CN1CSCC1=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is ZVGDFOKSHPIOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c27-21(15-26-17-29-16-22(26)28)23-19-6-8-20(9-7-19)25-12-10-24(11-13-25)14-18-4-2-1-3-5-18/h1-9H,10-17H2,(H,23,27).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 410.54 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 42311249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).