1-(5-chloro-1H-indol-3-yl)-2-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone;ethane

C25H28ClF3N2O2 — CID 143089621

IUPAC1-(5-chloro-1H-indol-3-yl)-2-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone;ethane
SMILESCC.O=C(CN1CCCC(COc2ccc(C(F)(F)F)cc2)C1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C23H22ClF3N2O2.C2H6/c24-17-5-8-21-19(10-17)20(11-28-21)22(30)13-29-9-1-2-15(12-29)14-31-18-6-3-16(4-7-18)23(25,26)27;1-2/h3-8,10-11,15,28H,1-2,9,12-14H2;1-2H3
InChIKeyBAVIMNHMAYKESO-UHFFFAOYSA-N
MW480.96 g/mol
LogP6.84
Rot. Bonds6

About 1-(5-chloro-1H-indol-3-yl)-2-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone;ethane

1-(5-chloro-1H-indol-3-yl)-2-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone;ethane (PubChem CID 143089621) has the molecular formula C25H28ClF3N2O2 and a molecular weight of 480.96 g/mol. Its IUPAC name is 1-(5-chloro-1H-indol-3-yl)-2-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone;ethane.

Molecular Properties

Compound Name1-(5-chloro-1H-indol-3-yl)-2-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone;ethane
PubChem CID143089621
Molecular FormulaC25H28ClF3N2O2
Molecular Weight480.96 g/mol
Exact Mass480.18
IUPAC Name1-(5-chloro-1H-indol-3-yl)-2-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone;ethane
SMILESCC.O=C(CN1CCCC(COc2ccc(C(F)(F)F)cc2)C1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C23H22ClF3N2O2.C2H6/c24-17-5-8-21-19(10-17)20(11-28-21)22(30)13-29-9-1-2-15(12-29)14-31-18-6-3-16(4-7-18)23(25,26)27;1-2/h3-8,10-11,15,28H,1-2,9,12-14H2;1-2H3
InChIKeyBAVIMNHMAYKESO-UHFFFAOYSA-N
XLogP6.84
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.96
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-1H-indol-3-yl)-2-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone;ethane with MolForge

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Related Compounds

(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[2-(1H-indol-4-yloxy)ethylamino]methyl]piperidin-1-yl]methanone
CID 132247301
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CID 1588018
8-{[3-(3-Chloro-phenoxy)-propyl]-propyl-amino}-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
CID 10432512
N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 3936614
3-(Trifluoroacetyl)-4-[2-(benzylamino)ethoxy]-7-chloro-1H-indole
CID 9908760
2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 10664084
3-(1-(2-(5-chlorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-6-fluoro-1H-indole
CID 11200271
3-(1-(2-(5-chlorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-5-fluoro-1H-indole
CID 11292359
3-(1-(2-(5-chlorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11360898
(6-chloro-1H-indol-3-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 15952129
2-(7-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 54771355
6-chloro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridyl]-1H-quinolin-4-one
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indol-3-yl)-2-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone;ethane?
The IUPAC name of 1-(5-chloro-1H-indol-3-yl)-2-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone;ethane (CID 143089621) is 1-(5-chloro-1H-indol-3-yl)-2-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone;ethane.
What is the SMILES notation for 1-(5-chloro-1H-indol-3-yl)-2-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone;ethane?
The canonical SMILES for 1-(5-chloro-1H-indol-3-yl)-2-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone;ethane is CC.O=C(CN1CCCC(COc2ccc(C(F)(F)F)cc2)C1)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 1-(5-chloro-1H-indol-3-yl)-2-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone;ethane?
The InChIKey is BAVIMNHMAYKESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N2O2.C2H6/c24-17-5-8-21-19(10-17)20(11-28-21)22(30)13-29-9-1-2-15(12-29)14-31-18-6-3-16(4-7-18)23(25,26)27;1-2/h3-8,10-11,15,28H,1-2,9,12-14H2;1-2H3.
What are the key properties of 1-(5-chloro-1H-indol-3-yl)-2-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone;ethane?
1-(5-chloro-1H-indol-3-yl)-2-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone;ethane has a molecular weight of 480.96 g/mol, XLogP of 6.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indol-3-yl)-2-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone;ethane is sourced from PubChem (CID 143089621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).