2-[1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]piperidin-4-yl]-N-methylacetamide

C24H27ClFN3O2 — CID 139726876

IUPAC2-[1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]piperidin-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CCN(CCOc2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
InChIInChI=1S/C24H27ClFN3O2/c1-27-24(30)14-17-8-10-28(11-9-17)12-13-31-23-16-29(20-5-3-19(26)4-6-20)22-7-2-18(25)15-21(22)23/h2-7,15-17H,8-14H2,1H3,(H,27,30)
InChIKeyAHTDBVGLMGKJKN-UHFFFAOYSA-N
MW443.95 g/mol
LogP4.65
Rot. Bonds7

About 2-[1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]piperidin-4-yl]-N-methylacetamide

2-[1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]piperidin-4-yl]-N-methylacetamide (PubChem CID 139726876) has the molecular formula C24H27ClFN3O2 and a molecular weight of 443.95 g/mol. Its IUPAC name is 2-[1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]piperidin-4-yl]-N-methylacetamide
PubChem CID139726876
Molecular FormulaC24H27ClFN3O2
Molecular Weight443.95 g/mol
Exact Mass443.18
IUPAC Name2-[1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]piperidin-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CCN(CCOc2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
InChIInChI=1S/C24H27ClFN3O2/c1-27-24(30)14-17-8-10-28(11-9-17)12-13-31-23-16-29(20-5-3-19(26)4-6-20)22-7-2-18(25)15-21(22)23/h2-7,15-17H,8-14H2,1H3,(H,27,30)
InChIKeyAHTDBVGLMGKJKN-UHFFFAOYSA-N
XLogP4.65
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.95
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-({2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-methyl-amino)-ethyl]-imidazolidin-2-one
CID 9802796
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[2-(1H-indol-4-yloxy)ethylamino]methyl]piperidin-1-yl]methanone
CID 132247301
5-Chloro-1-(4-fluoro-phenyl)-3-(2-piperidin-1-yl-ethoxy)-1H-indole
CID 10499570
1-[2-({2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-ethyl-amino)-ethyl]-imidazolidin-2-one
CID 10503470
{2-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-dimethyl-amine
CID 10544602
1-[2-({2-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-methyl-amino)-ethyl]-imidazolidin-2-one
CID 10550615
1-[2-({2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-prop-2-ynyl-amino)-ethyl]-imidazolidin-2-one
CID 10551704
{2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-dimethyl-amine
CID 10592734
5-Chloro-1-(4-fluoro-phenyl)-3-(2-morpholin-4-yl-ethoxy)-1H-indole
CID 10595604
N-(4-Chlorophenyl)-2-[[4-quinolinyl]oxy]propanamide
CID 44219888
4-((9-chloro-7-(5-fluoro-1H-indol-1-yl)-2,3-dihydrobenzo(f)(1,4)oxazepin-4(5H)-yl)methyl)pyridin-2(1H)-one
CID 56927669
5-Chloro-1-(4-fluoro-phenyl)-3-[2-(4-methyl-piperazin-1-yl)-ethoxy]-1H-indole
CID 9886555

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]piperidin-4-yl]-N-methylacetamide?
The IUPAC name of 2-[1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]piperidin-4-yl]-N-methylacetamide (CID 139726876) is 2-[1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]piperidin-4-yl]-N-methylacetamide is CNC(=O)CC1CCN(CCOc2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1.
What is the InChIKey of 2-[1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]piperidin-4-yl]-N-methylacetamide?
The InChIKey is AHTDBVGLMGKJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN3O2/c1-27-24(30)14-17-8-10-28(11-9-17)12-13-31-23-16-29(20-5-3-19(26)4-6-20)22-7-2-18(25)15-21(22)23/h2-7,15-17H,8-14H2,1H3,(H,27,30).
What are the key properties of 2-[1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]piperidin-4-yl]-N-methylacetamide?
2-[1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]piperidin-4-yl]-N-methylacetamide has a molecular weight of 443.95 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 139726876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).