2-(1,2-dimethylindol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

C23H28N4O — CID 113211478

IUPAC2-(1,2-dimethylindol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1c(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2n1C
InChIInChI=1S/C23H28N4O/c1-17-21(20-6-4-5-7-22(20)26(17)3)16-23(28)24-18-8-10-19(11-9-18)27-14-12-25(2)13-15-27/h4-11H,12-16H2,1-3H3,(H,24,28)
InChIKeyCMWMGAZXGZIQGN-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.42
Rot. Bonds4

About 2-(1,2-dimethylindol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(1,2-dimethylindol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 113211478) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID113211478
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-(1,2-dimethylindol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1c(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2n1C
InChIInChI=1S/C23H28N4O/c1-17-21(20-6-4-5-7-22(20)26(17)3)16-23(28)24-18-8-10-19(11-9-18)27-14-12-25(2)13-15-27/h4-11H,12-16H2,1-3H3,(H,24,28)
InChIKeyCMWMGAZXGZIQGN-UHFFFAOYSA-N
XLogP3.42
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113211474
N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 110768882
N-(3,5-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 113211498
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 110601100
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
N-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 113211482
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109007621
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
2-(1,2-dimethylindol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110768894
2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983952

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 113211478) is 2-(1,2-dimethylindol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is Cc1c(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2n1C.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is CMWMGAZXGZIQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-17-21(20-6-4-5-7-22(20)26(17)3)16-23(28)24-18-8-10-19(11-9-18)27-14-12-25(2)13-15-27/h4-11H,12-16H2,1-3H3,(H,24,28).
What are the key properties of 2-(1,2-dimethylindol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(1,2-dimethylindol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 376.50 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 113211478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).