2-(4-benzhydrylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide

C26H27N3O2 — CID 44901949

IUPAC2-(4-benzhydrylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide
SMILESCc1cccc(NC(=O)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C26H27N3O2/c1-20-9-8-14-23(19-20)27-25(30)26(31)29-17-15-28(16-18-29)24(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-14,19,24H,15-18H2,1H3,(H,27,30)
InChIKeyXGDALBRZERXVKZ-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.87
Rot. Bonds4

About 2-(4-benzhydrylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide

2-(4-benzhydrylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide (PubChem CID 44901949) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide
PubChem CID44901949
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide
SMILESCc1cccc(NC(=O)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C26H27N3O2/c1-20-9-8-14-23(19-20)27-25(30)26(31)29-17-15-28(16-18-29)24(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-14,19,24H,15-18H2,1H3,(H,27,30)
InChIKeyXGDALBRZERXVKZ-UHFFFAOYSA-N
XLogP3.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)-2-oxoacetamide
CID 108504732
2-(4-benzhydrylpiperazin-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide
CID 44902793
2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide
CID 108515716
N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515725
4-[bis(4-fluorophenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 17171393
2-(4-benzhydrylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)-2-oxoacetamide
CID 44902567
2-(4-benzhydrylpiperazin-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide
CID 108504765
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 108515651
N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide
CID 2955113
2-(4-benzhydrylpiperazin-1-yl)-N-(2,5-difluorophenyl)-2-oxoacetamide
CID 44902244
4-benzhydryl-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide
CID 1076538
[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 92769109

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide (CID 44901949) is 2-(4-benzhydrylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide is Cc1cccc(NC(=O)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide?
The InChIKey is XGDALBRZERXVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-20-9-8-14-23(19-20)27-25(30)26(31)29-17-15-28(16-18-29)24(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-14,19,24H,15-18H2,1H3,(H,27,30).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide?
2-(4-benzhydrylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide has a molecular weight of 413.52 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 44901949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).