2-(4-benzylpiperazin-1-yl)-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide

C20H23N3O3 — CID 108516956

IUPAC2-(4-benzylpiperazin-1-yl)-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide
SMILESCN(C(=O)C(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C20H23N3O3/c1-21(17-7-9-18(24)10-8-17)19(25)20(26)23-13-11-22(12-14-23)15-16-5-3-2-4-6-16/h2-10,24H,11-15H2,1H3
InChIKeyKDOYPVVNFQCKRD-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.70
Rot. Bonds3

About 2-(4-benzylpiperazin-1-yl)-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide

2-(4-benzylpiperazin-1-yl)-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide (PubChem CID 108516956) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide
PubChem CID108516956
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide
SMILESCN(C(=O)C(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C20H23N3O3/c1-21(17-7-9-18(24)10-8-17)19(25)20(26)23-13-11-22(12-14-23)15-16-5-3-2-4-6-16/h2-10,24H,11-15H2,1H3
InChIKeyKDOYPVVNFQCKRD-UHFFFAOYSA-N
XLogP1.70
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
2-[4-(2-aminoethyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108517764
2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
CID 108507177
4-benzylpiperazine-1-carboxylic acid;4-(methylamino)phenol;hydrochloride
CID 172859519
2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoacetic acid
CID 141207482
N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide
CID 108518814
1-(4-benzylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504526
4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894755
2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide
CID 108508402
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
1-(4-benzylpiperazin-1-yl)-2-methyl-3-phenylprop-2-en-1-one
CID 667699
1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone
CID 30981259

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide (CID 108516956) is 2-(4-benzylpiperazin-1-yl)-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide is CN(C(=O)C(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(O)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide?
The InChIKey is KDOYPVVNFQCKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-21(17-7-9-18(24)10-8-17)19(25)20(26)23-13-11-22(12-14-23)15-16-5-3-2-4-6-16/h2-10,24H,11-15H2,1H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide?
2-(4-benzylpiperazin-1-yl)-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide has a molecular weight of 353.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 108516956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).