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

C25H30N4O5 — CID 3809480

IUPACmethyl 4-methoxy-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)C(C)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C25H30N4O5/c1-16(28-12-14-29(15-13-28)18-9-5-6-10-19(18)32-2)24(30)27-22-21-17(8-7-11-20(21)33-3)26-23(22)25(31)34-4/h5-11,16,26H,12-15H2,1-4H3,(H,27,30)
InChIKeyDREZQMJKQLWVLA-UHFFFAOYSA-N
MW466.54 g/mol
LogP3.12
Rot. Bonds7

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

methyl 4-methoxy-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate (PubChem CID 3809480) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is methyl 4-methoxy-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate
PubChem CID3809480
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Namemethyl 4-methoxy-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)C(C)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C25H30N4O5/c1-16(28-12-14-29(15-13-28)18-9-5-6-10-19(18)32-2)24(30)27-22-21-17(8-7-11-20(21)33-3)26-23(22)25(31)34-4/h5-11,16,26H,12-15H2,1-4H3,(H,27,30)
InChIKeyDREZQMJKQLWVLA-UHFFFAOYSA-N
XLogP3.12
TPSA96.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-methoxy-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate with MolForge

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 9249291
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 46054199
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
(2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249385
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide
CID 41123999
methyl 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylate
CID 5173490
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 40932948
methyl 3-[[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylate
CID 2020591
methyl 3-[[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylate
CID 2024769
(2R)-N-(2-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 32724400

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate?
The IUPAC name of methyl 4-methoxy-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate (CID 3809480) is methyl 4-methoxy-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate is COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)C(C)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of methyl 4-methoxy-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate?
The InChIKey is DREZQMJKQLWVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-16(28-12-14-29(15-13-28)18-9-5-6-10-19(18)32-2)24(30)27-22-21-17(8-7-11-20(21)33-3)26-23(22)25(31)34-4/h5-11,16,26H,12-15H2,1-4H3,(H,27,30).
What are the key properties of methyl 4-methoxy-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate?
methyl 4-methoxy-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate has a molecular weight of 466.54 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate is sourced from PubChem (CID 3809480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).