N-(1,3-dimethylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide

C24H28N4O2 — CID 164618806

IUPACN-(1,3-dimethylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide
SMILESCc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)c(C)cn4C)CC2)cc1
InChIInChI=1S/C24H28N4O2/c1-17-4-6-19(7-5-17)16-27-10-12-28(13-11-27)24(30)23(29)25-20-8-9-22-21(14-20)18(2)15-26(22)3/h4-9,14-15H,10-13,16H2,1-3H3,(H,25,29)
InChIKeyIDNUPIYXHUTZMS-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.08
Rot. Bonds3

About N-(1,3-dimethylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide

N-(1,3-dimethylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide (PubChem CID 164618806) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(1,3-dimethylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(1,3-dimethylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide
PubChem CID164618806
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-(1,3-dimethylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide
SMILESCc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)c(C)cn4C)CC2)cc1
InChIInChI=1S/C24H28N4O2/c1-17-4-6-19(7-5-17)16-27-10-12-28(13-11-27)24(30)23(29)25-20-8-9-22-21(14-20)18(2)15-26(22)3/h4-9,14-15H,10-13,16H2,1-3H3,(H,25,29)
InChIKeyIDNUPIYXHUTZMS-UHFFFAOYSA-N
XLogP3.08
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1,3-dimethylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(1,3-dimethylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide (CID 164618806) is N-(1,3-dimethylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(1,3-dimethylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(1,3-dimethylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide is Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)c(C)cn4C)CC2)cc1.
What is the InChIKey of N-(1,3-dimethylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide?
The InChIKey is IDNUPIYXHUTZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-4-6-19(7-5-17)16-27-10-12-28(13-11-27)24(30)23(29)25-20-8-9-22-21(14-20)18(2)15-26(22)3/h4-9,14-15H,10-13,16H2,1-3H3,(H,25,29).
What are the key properties of N-(1,3-dimethylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide?
N-(1,3-dimethylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide has a molecular weight of 404.51 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 164618806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).