ethyl 4-[2-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]piperazine-1-carboxylate

C17H20FN3O3 — CID 938754

IUPACethyl 4-[2-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C17H20FN3O3/c1-2-24-17(23)21-7-5-20(6-8-21)11-16(22)14-10-19-15-4-3-12(18)9-13(14)15/h3-4,9-10,19H,2,5-8,11H2,1H3
InChIKeyGUKVCKWRSCBKDA-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.26
Rot. Bonds4

About ethyl 4-[2-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]piperazine-1-carboxylate

ethyl 4-[2-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 938754) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is ethyl 4-[2-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]piperazine-1-carboxylate
PubChem CID938754
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Nameethyl 4-[2-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C17H20FN3O3/c1-2-24-17(23)21-7-5-20(6-8-21)11-16(22)14-10-19-15-4-3-12(18)9-13(14)15/h3-4,9-10,19H,2,5-8,11H2,1H3
InChIKeyGUKVCKWRSCBKDA-UHFFFAOYSA-N
XLogP2.26
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 2016666
1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 113205617
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
1-(5-fluoro-1H-indol-3-yl)-2-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 56653804
ethyl 4-[N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate
CID 111164479
ethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 7198537
1-(5-fluoro-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 44595830
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 913234
1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273
2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 82493978
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)-2-(6-fluoro-1H-indol-3-yl)acetic acid
CID 42581936
ethyl 5-[4-[4-(5-fluoro-1H-indol-3-yl)-4-oxobutyl]piperazin-1-yl]-1-benzofuran-2-carboxylate
CID 170858103

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]piperazine-1-carboxylate (CID 938754) is ethyl 4-[2-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(=O)c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of ethyl 4-[2-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is GUKVCKWRSCBKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-2-24-17(23)21-7-5-20(6-8-21)11-16(22)14-10-19-15-4-3-12(18)9-13(14)15/h3-4,9-10,19H,2,5-8,11H2,1H3.
What are the key properties of ethyl 4-[2-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]piperazine-1-carboxylate?
ethyl 4-[2-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 333.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 938754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).