N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide

C21H26N4O3 — CID 113113737

IUPACN-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(N2CCN(C(=O)Nc3cccc(NC(C)=O)c3)CC2)cc1
InChIInChI=1S/C21H26N4O3/c1-3-28-20-9-7-19(8-10-20)24-11-13-25(14-12-24)21(27)23-18-6-4-5-17(15-18)22-16(2)26/h4-10,15H,3,11-14H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyTYRIKRARGPJVLJ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.40
Rot. Bonds5

About N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide

N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 113113737) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID113113737
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(N2CCN(C(=O)Nc3cccc(NC(C)=O)c3)CC2)cc1
InChIInChI=1S/C21H26N4O3/c1-3-28-20-9-7-19(8-10-20)24-11-13-25(14-12-24)21(27)23-18-6-4-5-17(15-18)22-16(2)26/h4-10,15H,3,11-14H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyTYRIKRARGPJVLJ-UHFFFAOYSA-N
XLogP3.40
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113781
4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112384
N-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902805
N-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113752
N-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113758
N-[3-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 108545962
N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113103898
4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113951
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
N-(3-ethoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 136571741
N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113112200

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide (CID 113113737) is N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide is CCOc1ccc(N2CCN(C(=O)Nc3cccc(NC(C)=O)c3)CC2)cc1.
What is the InChIKey of N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is TYRIKRARGPJVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-28-20-9-7-19(8-10-20)24-11-13-25(14-12-24)21(27)23-18-6-4-5-17(15-18)22-16(2)26/h4-10,15H,3,11-14H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide?
N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113113737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).