[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate

C18H21N3O5 — CID 7888926

IUPAC[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H21N3O5/c1-2-25-18(24)21-9-7-20(8-10-21)16(22)12-26-17(23)14-11-19-15-6-4-3-5-13(14)15/h3-6,11,19H,2,7-10,12H2,1H3
InChIKeyXGXMHKYFXDGAGN-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.63
Rot. Bonds4

About [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate

[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate (PubChem CID 7888926) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate
PubChem CID7888926
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H21N3O5/c1-2-25-18(24)21-9-7-20(8-10-21)16(22)12-26-17(23)14-11-19-15-6-4-3-5-13(14)15/h3-6,11,19H,2,7-10,12H2,1H3
InChIKeyXGXMHKYFXDGAGN-UHFFFAOYSA-N
XLogP1.63
TPSA91.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate with MolForge

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Related Compounds

ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
ethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate
CID 113208970
ethyl 4-[2-(2-hydroxy-3-methylbenzoyl)oxyacetyl]piperazine-1-carboxylate
CID 7840448
ethyl 4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 31899581
ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 113209136
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888835
1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803979
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888882
[2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492892
8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione
CID 58509565
1-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]pentan-1-one
CID 49206011
(2-oxo-2-piperidin-1-ylethyl) 5-bromo-1H-indole-3-carboxylate
CID 55443248

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate (CID 7888926) is [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate is CCOC(=O)N1CCN(C(=O)COC(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate?
The InChIKey is XGXMHKYFXDGAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-2-25-18(24)21-9-7-20(8-10-21)16(22)12-26-17(23)14-11-19-15-6-4-3-5-13(14)15/h3-6,11,19H,2,7-10,12H2,1H3.
What are the key properties of [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate?
[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate has a molecular weight of 359.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 7888926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).