2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide

C24H28N4O2 — CID 108532064

IUPAC2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
SMILESCc1cccc(N2CCN(C(=O)C(=O)NCCc3c[nH]c4ccccc34)CC2)c1C
InChIInChI=1S/C24H28N4O2/c1-17-6-5-9-22(18(17)2)27-12-14-28(15-13-27)24(30)23(29)25-11-10-19-16-26-21-8-4-3-7-20(19)21/h3-9,16,26H,10-15H2,1-2H3,(H,25,29)
InChIKeyYLTGTBLTCXXVEW-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.79
Rot. Bonds4

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

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide (PubChem CID 108532064) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
PubChem CID108532064
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
SMILESCc1cccc(N2CCN(C(=O)C(=O)NCCc3c[nH]c4ccccc34)CC2)c1C
InChIInChI=1S/C24H28N4O2/c1-17-6-5-9-22(18(17)2)27-12-14-28(15-13-27)24(30)23(29)25-11-10-19-16-26-21-8-4-3-7-20(19)21/h3-9,16,26H,10-15H2,1-2H3,(H,25,29)
InChIKeyYLTGTBLTCXXVEW-UHFFFAOYSA-N
XLogP2.79
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[2-(1H-indol-3-yl)ethylamino]ethanone
CID 109002291
N-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108530712
2-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108508463
N-[2-(1H-indol-3-yl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 44892225
N-[2-(1H-indol-3-yl)ethyl]-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531709
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 113207628
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 55457795
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108505742
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide
CID 21187563
N-[2-(2-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108900383
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide
CID 22115646

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide (CID 108532064) is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide is Cc1cccc(N2CCN(C(=O)C(=O)NCCc3c[nH]c4ccccc34)CC2)c1C.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide?
The InChIKey is YLTGTBLTCXXVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-6-5-9-22(18(17)2)27-12-14-28(15-13-27)24(30)23(29)25-11-10-19-16-26-21-8-4-3-7-20(19)21/h3-9,16,26H,10-15H2,1-2H3,(H,25,29).
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide?
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide has a molecular weight of 404.51 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 108532064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).