ethyl 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate

C24H33N3O6 — CID 3740678

IUPACethyl 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCC(C(=O)OCC)CC3)c12
InChIInChI=1S/C24H33N3O6/c1-6-32-23(29)16-10-12-27(13-11-16)14-19(28)25-22-18(31-5)9-8-17-21(22)20(15(3)26(17)4)24(30)33-7-2/h8-9,16H,6-7,10-14H2,1-5H3,(H,25,28)
InChIKeySVEHDYAFJQSHSP-UHFFFAOYSA-N
MW459.54 g/mol
LogP2.89
Rot. Bonds8

About ethyl 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate

ethyl 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate (PubChem CID 3740678) has the molecular formula C24H33N3O6 and a molecular weight of 459.54 g/mol. Its IUPAC name is ethyl 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate
PubChem CID3740678
Molecular FormulaC24H33N3O6
Molecular Weight459.54 g/mol
Exact Mass459.24
IUPAC Nameethyl 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCC(C(=O)OCC)CC3)c12
InChIInChI=1S/C24H33N3O6/c1-6-32-23(29)16-10-12-27(13-11-16)14-19(28)25-22-18(31-5)9-8-17-21(22)20(15(3)26(17)4)24(30)33-7-2/h8-9,16H,6-7,10-14H2,1-5H3,(H,25,28)
InChIKeySVEHDYAFJQSHSP-UHFFFAOYSA-N
XLogP2.89
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate with MolForge

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Related Compounds

ethyl 4-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate
CID 7707436
ethyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate
CID 665208
ethyl 4-[[2-[(1S,5R)-3,3-dimethyl-6-azabicyclo[3.2.1]octan-6-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate
CID 98176866
ethyl 4-[[2-[(1R)-1-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate
CID 1409761
ethyl 1-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8931481
ethyl 1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 36800218
ethyl 1-[2-[4-(butanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 54837939
ethyl 1-[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931147
ethyl 1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931236
methyl 3-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate
CID 665785
ethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 87012554
ethyl 1-[2-[(3-ethoxycarbonyl-4-thiophen-2-ylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 5131629

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate?
The IUPAC name of ethyl 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate (CID 3740678) is ethyl 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate?
The canonical SMILES for ethyl 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate is CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCC(C(=O)OCC)CC3)c12.
What is the InChIKey of ethyl 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate?
The InChIKey is SVEHDYAFJQSHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O6/c1-6-32-23(29)16-10-12-27(13-11-16)14-19(28)25-22-18(31-5)9-8-17-21(22)20(15(3)26(17)4)24(30)33-7-2/h8-9,16H,6-7,10-14H2,1-5H3,(H,25,28).
What are the key properties of ethyl 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate?
ethyl 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate has a molecular weight of 459.54 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]-5-methoxy-1,2-dimethylindole-3-carboxylate is sourced from PubChem (CID 3740678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).