ethyl 4-[6-fluoro-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylate

C22H25FN2O2S — CID 69412395

IUPACethyl 4-[6-fluoro-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2cn(CCc3ccsc3)c3cc(F)ccc23)CC1
InChIInChI=1S/C22H25FN2O2S/c1-2-27-22(26)24-10-6-17(7-11-24)20-14-25(9-5-16-8-12-28-15-16)21-13-18(23)3-4-19(20)21/h3-4,8,12-15,17H,2,5-7,9-11H2,1H3
InChIKeyWDACEAVXVZFFPC-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.42
Rot. Bonds5

About ethyl 4-[6-fluoro-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylate

ethyl 4-[6-fluoro-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylate (PubChem CID 69412395) has the molecular formula C22H25FN2O2S and a molecular weight of 400.52 g/mol. Its IUPAC name is ethyl 4-[6-fluoro-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-fluoro-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylate
PubChem CID69412395
Molecular FormulaC22H25FN2O2S
Molecular Weight400.52 g/mol
Exact Mass400.16
IUPAC Nameethyl 4-[6-fluoro-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2cn(CCc3ccsc3)c3cc(F)ccc23)CC1
InChIInChI=1S/C22H25FN2O2S/c1-2-27-22(26)24-10-6-17(7-11-24)20-14-25(9-5-16-8-12-28-15-16)21-13-18(23)3-4-19(20)21/h3-4,8,12-15,17H,2,5-7,9-11H2,1H3
InChIKeyWDACEAVXVZFFPC-UHFFFAOYSA-N
XLogP5.42
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]piperidine-1-carboxylate
CID 69411834
ethyl 4-[1-(2-pyridin-2-ylethyl)indol-3-yl]piperidine-1-carboxylate
CID 69415426
ethyl 4-[1-(2-ethoxyethyl)-5-methoxyindol-3-yl]piperidine-1-carboxylate
CID 11268835
ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate
CID 46214205
ethyl 4-(5-fluoro-2-benzofuran-1-yl)piperidine-1-carboxylate
CID 57173709
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
ethyl 4-[1-[(5-chlorothiophen-2-yl)methyl]indol-3-yl]piperidine-1-carboxylate
CID 11327120
6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole
CID 71457837
ethyl 4-methyl-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carboxylate bromide
CID 156599384
ethyl 4-[[N'-methyl-N-(thiophen-3-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111328556
1-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 24720536
2-[2-[4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]piperidin-1-yl]ethoxy]propane-1,2,3-triol
CID 18440754

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-fluoro-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[6-fluoro-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylate (CID 69412395) is ethyl 4-[6-fluoro-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-fluoro-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-fluoro-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(c2cn(CCc3ccsc3)c3cc(F)ccc23)CC1.
What is the InChIKey of ethyl 4-[6-fluoro-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylate?
The InChIKey is WDACEAVXVZFFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2S/c1-2-27-22(26)24-10-6-17(7-11-24)20-14-25(9-5-16-8-12-28-15-16)21-13-18(23)3-4-19(20)21/h3-4,8,12-15,17H,2,5-7,9-11H2,1H3.
What are the key properties of ethyl 4-[6-fluoro-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylate?
ethyl 4-[6-fluoro-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylate has a molecular weight of 400.52 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-fluoro-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 69412395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).