N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

C21H25N3O3 — CID 44892200

IUPACN-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C21H25N3O3/c1-15-4-5-17(14-16(15)2)22-20(25)21(26)24-12-10-23(11-13-24)18-6-8-19(27-3)9-7-18/h4-9,14H,10-13H2,1-3H3,(H,22,25)
InChIKeyBBGIZLRJOQOURT-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.60
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 44892200) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID44892200
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C21H25N3O3/c1-15-4-5-17(14-16(15)2)22-20(25)21(26)24-12-10-23(11-13-24)18-6-8-19(27-3)9-7-18/h4-9,14H,10-13H2,1-3H3,(H,22,25)
InChIKeyBBGIZLRJOQOURT-UHFFFAOYSA-N
XLogP2.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.60
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-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902805
N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902018
N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902445
N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 17132212
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 44901895
N-(3,4-dimethylphenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
CID 126415422
4-(3-chloro-4-methylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113113244
N'-(3-chloro-4-methylphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268579
2-(3,4-dimethylphenoxy)-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 17335458
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-yl-2-oxoacetamide
CID 108514130
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

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (CID 44892200) is N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is COc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(C)c(C)c3)CC2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is BBGIZLRJOQOURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-4-5-17(14-16(15)2)22-20(25)21(26)24-12-10-23(11-13-24)18-6-8-19(27-3)9-7-18/h4-9,14H,10-13H2,1-3H3,(H,22,25).
What are the key properties of N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 367.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 44892200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).