N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

C21H25N3O3 — CID 44902445

IUPACN-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCCc1ccc(NC(=O)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C21H25N3O3/c1-3-16-4-6-17(7-5-16)22-20(25)21(26)24-14-12-23(13-15-24)18-8-10-19(27-2)11-9-18/h4-11H,3,12-15H2,1-2H3,(H,22,25)
InChIKeySUNIXVCGVDTOHM-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.54
Rot. Bonds4

About N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 44902445) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID44902445
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCCc1ccc(NC(=O)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C21H25N3O3/c1-3-16-4-6-17(7-5-16)22-20(25)21(26)24-14-12-23(13-15-24)18-8-10-19(27-2)11-9-18/h4-11H,3,12-15H2,1-2H3,(H,22,25)
InChIKeySUNIXVCGVDTOHM-UHFFFAOYSA-N
XLogP2.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 44999577
N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44892200
N-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902805
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 44901895
N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902018
4-[[2-[4-(4-ethylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]-2-fluorobenzamide
CID 146091467
2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-prop-2-enylacetamide
CID 18588549
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502665
methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113631
N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide
CID 4558492
N,N-diethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 2197299

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (CID 44902445) is N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is CCc1ccc(NC(=O)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is SUNIXVCGVDTOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-16-4-6-17(7-5-16)22-20(25)21(26)24-14-12-23(13-15-24)18-8-10-19(27-2)11-9-18/h4-11H,3,12-15H2,1-2H3,(H,22,25).
What are the key properties of N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 367.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 44902445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).