ethyl 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate

C20H26N2O3 — CID 26371565

IUPACethyl 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)c2c[nH]c3c(CC)cccc23)CC1
InChIInChI=1S/C20H26N2O3/c1-3-14-6-5-7-16-17(12-21-19(14)16)18(23)13-22-10-8-15(9-11-22)20(24)25-4-2/h5-7,12,15,21H,3-4,8-11,13H2,1-2H3
InChIKeyZZXJXTVAAZPPPW-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.19
Rot. Bonds6

About ethyl 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate

ethyl 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 26371565) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is ethyl 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate
PubChem CID26371565
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Nameethyl 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)c2c[nH]c3c(CC)cccc23)CC1
InChIInChI=1S/C20H26N2O3/c1-3-14-6-5-7-16-17(12-21-19(14)16)18(23)13-22-10-8-15(9-11-22)20(24)25-4-2/h5-7,12,15,21H,3-4,8-11,13H2,1-2H3
InChIKeyZZXJXTVAAZPPPW-UHFFFAOYSA-N
XLogP3.19
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 9275355
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone
CID 9248225
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone
CID 18094464
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 7635186
trans-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 7777256
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466397
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 40699473
ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]piperidine-4-carboxylate
CID 46131396
1-(7-ethyl-1H-indol-3-yl)-2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethanone
CID 46559988
(7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96996651
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 7266372
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate
CID 7765173

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate (CID 26371565) is ethyl 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(=O)c2c[nH]c3c(CC)cccc23)CC1.
What is the InChIKey of ethyl 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is ZZXJXTVAAZPPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-14-6-5-7-16-17(12-21-19(14)16)18(23)13-22-10-8-15(9-11-22)20(24)25-4-2/h5-7,12,15,21H,3-4,8-11,13H2,1-2H3.
What are the key properties of ethyl 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate?
ethyl 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 26371565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).