methyl 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate

C24H28N4O4 — CID 665218

IUPACmethyl 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C24H28N4O4/c1-16-7-6-8-17-21(16)22(23(25-17)24(30)32-3)26-20(29)15-27-11-13-28(14-12-27)18-9-4-5-10-19(18)31-2/h4-10,25H,11-15H2,1-3H3,(H,26,29)
InChIKeyMDVDMKBXAYTJLO-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.03
Rot. Bonds6

About methyl 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate

methyl 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate (PubChem CID 665218) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is methyl 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate
PubChem CID665218
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Namemethyl 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C24H28N4O4/c1-16-7-6-8-17-21(16)22(23(25-17)24(30)32-3)26-20(29)15-27-11-13-28(14-12-27)18-9-4-5-10-19(18)31-2/h4-10,25H,11-15H2,1-3H3,(H,26,29)
InChIKeyMDVDMKBXAYTJLO-UHFFFAOYSA-N
XLogP3.03
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate (CID 665218) is methyl 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate is COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of methyl 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate?
The InChIKey is MDVDMKBXAYTJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-16-7-6-8-17-21(16)22(23(25-17)24(30)32-3)26-20(29)15-27-11-13-28(14-12-27)18-9-4-5-10-19(18)31-2/h4-10,25H,11-15H2,1-3H3,(H,26,29).
What are the key properties of methyl 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate?
methyl 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate has a molecular weight of 436.51 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate is sourced from PubChem (CID 665218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).