N-[2-(4-hydroxyphenyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide

C20H23N3O3 — CID 108503201

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(NCCc1ccc(O)cc1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H23N3O3/c24-18-8-6-16(7-9-18)10-11-21-19(25)20(26)23-14-12-22(13-15-23)17-4-2-1-3-5-17/h1-9,24H,10-15H2,(H,21,25)
InChIKeyQORNAONLYDHUJA-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.40
Rot. Bonds4

About N-[2-(4-hydroxyphenyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide

N-[2-(4-hydroxyphenyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 108503201) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID108503201
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(NCCc1ccc(O)cc1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H23N3O3/c24-18-8-6-16(7-9-18)10-11-21-19(25)20(26)23-14-12-22(13-15-23)17-4-2-1-3-5-17/h1-9,24H,10-15H2,(H,21,25)
InChIKeyQORNAONLYDHUJA-UHFFFAOYSA-N
XLogP1.40
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-2-oxoacetamide
CID 108503184
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide
CID 108985750
1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide
CID 108503193
N-[2-(1H-indol-3-yl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 44892225
2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide
CID 108986075
N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 71946894
4-[2-[[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]ethyl]benzoic acid
CID 66792743
4-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 27537143
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113108912
N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108530710
2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 43145090

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide (CID 108503201) is N-[2-(4-hydroxyphenyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide is O=C(NCCc1ccc(O)cc1)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is QORNAONLYDHUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-18-8-6-16(7-9-18)10-11-21-19(25)20(26)23-14-12-22(13-15-23)17-4-2-1-3-5-17/h1-9,24H,10-15H2,(H,21,25).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
N-[2-(4-hydroxyphenyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 353.42 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 108503201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).