methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate

C26H32N4O3 — CID 5238969

IUPACmethyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate
SMILESCOC(=O)c1c(NC(=O)CN2CCN(c3cccc(C)c3C)CC2)c2c(C)cccc2n1C
InChIInChI=1S/C26H32N4O3/c1-17-8-6-10-20(19(17)3)30-14-12-29(13-15-30)16-22(31)27-24-23-18(2)9-7-11-21(23)28(4)25(24)26(32)33-5/h6-11H,12-16H2,1-5H3,(H,27,31)
InChIKeyHZMNOHXHONSWPT-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.65
Rot. Bonds5

About methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate

methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate (PubChem CID 5238969) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate
PubChem CID5238969
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Namemethyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate
SMILESCOC(=O)c1c(NC(=O)CN2CCN(c3cccc(C)c3C)CC2)c2c(C)cccc2n1C
InChIInChI=1S/C26H32N4O3/c1-17-8-6-10-20(19(17)3)30-14-12-29(13-15-30)16-22(31)27-24-23-18(2)9-7-11-21(23)28(4)25(24)26(32)33-5/h6-11H,12-16H2,1-5H3,(H,27,31)
InChIKeyHZMNOHXHONSWPT-UHFFFAOYSA-N
XLogP3.65
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 3-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate
CID 665785
methyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate
CID 3759676
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 40696125
methyl 5-chloro-3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
CID 1414494
methyl 3-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate
CID 2042049
methyl 2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-5-ethylthiophene-3-carboxylate
CID 22199349
N-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6465296
methyl 3-[[2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate
CID 7174861
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8726239
N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469583
4-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 8582749
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 8582945

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate?
The IUPAC name of methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate (CID 5238969) is methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate?
The canonical SMILES for methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate is COC(=O)c1c(NC(=O)CN2CCN(c3cccc(C)c3C)CC2)c2c(C)cccc2n1C.
What is the InChIKey of methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate?
The InChIKey is HZMNOHXHONSWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-17-8-6-10-20(19(17)3)30-14-12-29(13-15-30)16-22(31)27-24-23-18(2)9-7-11-21(23)28(4)25(24)26(32)33-5/h6-11H,12-16H2,1-5H3,(H,27,31).
What are the key properties of methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate?
methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate has a molecular weight of 448.57 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate is sourced from PubChem (CID 5238969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).