N-hydroxy-2-phenyl-2-[4-[1-[(Z)-[(Z)-2-phenylbut-2-enylidene]amino]ethenyl]piperazin-1-yl]acetamide

C24H28N4O2 — CID 145487474

IUPACN-hydroxy-2-phenyl-2-[4-[1-[(Z)-[(Z)-2-phenylbut-2-enylidene]amino]ethenyl]piperazin-1-yl]acetamide
SMILESC=C(/N=C\C(=C/C)c1ccccc1)N1CCN(C(C(=O)NO)c2ccccc2)CC1
InChIInChI=1S/C24H28N4O2/c1-3-20(21-10-6-4-7-11-21)18-25-19(2)27-14-16-28(17-15-27)23(24(29)26-30)22-12-8-5-9-13-22/h3-13,18,23,30H,2,14-17H2,1H3,(H,26,29)/b20-3+,25-18-
InChIKeyQIIOOXKGDIXPMW-IINHRQFFSA-N
MW404.51 g/mol
LogP3.50
Rot. Bonds7

About N-hydroxy-2-phenyl-2-[4-[1-[(Z)-[(Z)-2-phenylbut-2-enylidene]amino]ethenyl]piperazin-1-yl]acetamide

N-hydroxy-2-phenyl-2-[4-[1-[(Z)-[(Z)-2-phenylbut-2-enylidene]amino]ethenyl]piperazin-1-yl]acetamide (PubChem CID 145487474) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-hydroxy-2-phenyl-2-[4-[1-[(Z)-[(Z)-2-phenylbut-2-enylidene]amino]ethenyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-phenyl-2-[4-[1-[(Z)-[(Z)-2-phenylbut-2-enylidene]amino]ethenyl]piperazin-1-yl]acetamide
PubChem CID145487474
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-hydroxy-2-phenyl-2-[4-[1-[(Z)-[(Z)-2-phenylbut-2-enylidene]amino]ethenyl]piperazin-1-yl]acetamide
SMILESC=C(/N=C\C(=C/C)c1ccccc1)N1CCN(C(C(=O)NO)c2ccccc2)CC1
InChIInChI=1S/C24H28N4O2/c1-3-20(21-10-6-4-7-11-21)18-25-19(2)27-14-16-28(17-15-27)23(24(29)26-30)22-12-8-5-9-13-22/h3-13,18,23,30H,2,14-17H2,1H3,(H,26,29)/b20-3+,25-18-
InChIKeyQIIOOXKGDIXPMW-IINHRQFFSA-N
XLogP3.50
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide
CID 174606877
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide
CID 163876395
4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid
CID 22353154
(2S)-2-(4-acetylpiperazin-1-yl)-N-cyclopropyl-2-phenylacetamide
CID 9033825
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
2-[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide
CID 174592054
(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
CID 94820416
2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid
CID 119350173
(2S)-N-methyl-2-phenyl-2-piperidin-1-ylacetamide
CID 67962694
ethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate
CID 8543837
(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 8597142

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-phenyl-2-[4-[1-[(Z)-[(Z)-2-phenylbut-2-enylidene]amino]ethenyl]piperazin-1-yl]acetamide?
The IUPAC name of N-hydroxy-2-phenyl-2-[4-[1-[(Z)-[(Z)-2-phenylbut-2-enylidene]amino]ethenyl]piperazin-1-yl]acetamide (CID 145487474) is N-hydroxy-2-phenyl-2-[4-[1-[(Z)-[(Z)-2-phenylbut-2-enylidene]amino]ethenyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-phenyl-2-[4-[1-[(Z)-[(Z)-2-phenylbut-2-enylidene]amino]ethenyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-hydroxy-2-phenyl-2-[4-[1-[(Z)-[(Z)-2-phenylbut-2-enylidene]amino]ethenyl]piperazin-1-yl]acetamide is C=C(/N=C\C(=C/C)c1ccccc1)N1CCN(C(C(=O)NO)c2ccccc2)CC1.
What is the InChIKey of N-hydroxy-2-phenyl-2-[4-[1-[(Z)-[(Z)-2-phenylbut-2-enylidene]amino]ethenyl]piperazin-1-yl]acetamide?
The InChIKey is QIIOOXKGDIXPMW-IINHRQFFSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-20(21-10-6-4-7-11-21)18-25-19(2)27-14-16-28(17-15-27)23(24(29)26-30)22-12-8-5-9-13-22/h3-13,18,23,30H,2,14-17H2,1H3,(H,26,29)/b20-3+,25-18-.
What are the key properties of N-hydroxy-2-phenyl-2-[4-[1-[(Z)-[(Z)-2-phenylbut-2-enylidene]amino]ethenyl]piperazin-1-yl]acetamide?
N-hydroxy-2-phenyl-2-[4-[1-[(Z)-[(Z)-2-phenylbut-2-enylidene]amino]ethenyl]piperazin-1-yl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-phenyl-2-[4-[1-[(Z)-[(Z)-2-phenylbut-2-enylidene]amino]ethenyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 145487474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).