N-(2-hydroxy-5-methylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide

C19H21N3O3 — CID 108522782

IUPACN-(2-hydroxy-5-methylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCc1ccc(O)c(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H21N3O3/c1-14-7-8-17(23)16(13-14)20-18(24)19(25)22-11-9-21(10-12-22)15-5-3-2-4-6-15/h2-8,13,23H,9-12H2,1H3,(H,20,24)
InChIKeyMXQZJSUVXZHPSY-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.99
Rot. Bonds2

About N-(2-hydroxy-5-methylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide

N-(2-hydroxy-5-methylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 108522782) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID108522782
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(2-hydroxy-5-methylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCc1ccc(O)c(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H21N3O3/c1-14-7-8-17(23)16(13-14)20-18(24)19(25)22-11-9-21(10-12-22)15-5-3-2-4-6-15/h2-8,13,23H,9-12H2,1H3,(H,20,24)
InChIKeyMXQZJSUVXZHPSY-UHFFFAOYSA-N
XLogP1.99
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108514381
N-(2-hydroxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108514363
2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)-2-oxoacetamide
CID 108504732
2-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzamide
CID 108529398
N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide
CID 108522705
N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515725
N-(2,5-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902723
N-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108871577
(2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 25340673
N-(2-amino-5-methylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108531692
N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902700
N-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 44999577

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide (CID 108522782) is N-(2-hydroxy-5-methylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide is Cc1ccc(O)c(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is MXQZJSUVXZHPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-14-7-8-17(23)16(13-14)20-18(24)19(25)22-11-9-21(10-12-22)15-5-3-2-4-6-15/h2-8,13,23H,9-12H2,1H3,(H,20,24).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
N-(2-hydroxy-5-methylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 108522782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).