1-[4-(6-fluoro-3H-inden-1-yl)cyclohexyl]-4-(2-methoxyphenyl)piperazine;4-(5-fluoro-1H-indol-3-yl)cyclohexan-1-one;5-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methylindole;4-(5-fluoro-1-methylindol-3-yl)cyclohexan-1-one

C82H92F4N8O3 — CID 159134308

IUPAC1-[4-(6-fluoro-3H-inden-1-yl)cyclohexyl]-4-(2-methoxyphenyl)piperazine;4-(5-fluoro-1H-indol-3-yl)cyclohexan-1-one;5-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methylindole;4-(5-fluoro-1-methylindol-3-yl)cyclohexan-1-one
SMILESCOc1ccccc1N1CCN(C2CCC(C3=CCc4ccc(F)cc43)CC2)CC1.Cn1cc(C2CCC(=O)CC2)c2cc(F)ccc21.Cn1cc(C2CCC(N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(F)ccc21.O=C1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C27H31FN4.C26H31FN2O.C15H16FNO.C14H14FNO/c1-30-18-24(23-17-20(28)7-10-26(23)30)19-5-8-21(9-6-19)31-13-15-32(16-14-31)27-4-2-3-25-22(27)11-12-29-25;1-30-26-5-3-2-4-25(26)29-16-14-28(15-17-29)22-11-7-19(8-12-22)23-13-9-20-6-10-21(27)18-24(20)23;1-17-9-14(10-2-5-12(18)6-3-10)13-8-11(16)4-7-15(13)17;15-10-3-6-14-12(7-10)13(8-16-14)9-1-4-11(17)5-2-9/h2-4,7,10-12,17-19,21,29H,5-6,8-9,13-16H2,1H3;2-6,10,13,18-19,22H,7-9,11-12,14-17H2,1H3;4,7-10H,2-3,5-6H2,1H3;3,6-9,16H,1-2,4-5H2
InChIKeyKHHCUYYSVCQKDT-UHFFFAOYSA-N
MW1313.68 g/mol
LogP17.88
Rot. Bonds9

About 1-[4-(6-fluoro-3H-inden-1-yl)cyclohexyl]-4-(2-methoxyphenyl)piperazine;4-(5-fluoro-1H-indol-3-yl)cyclohexan-1-one;5-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methylindole;4-(5-fluoro-1-methylindol-3-yl)cyclohexan-1-one

1-[4-(6-fluoro-3H-inden-1-yl)cyclohexyl]-4-(2-methoxyphenyl)piperazine;4-(5-fluoro-1H-indol-3-yl)cyclohexan-1-one;5-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methylindole;4-(5-fluoro-1-methylindol-3-yl)cyclohexan-1-one (PubChem CID 159134308) has the molecular formula C82H92F4N8O3 and a molecular weight of 1313.68 g/mol. Its IUPAC name is 1-[4-(6-fluoro-3H-inden-1-yl)cyclohexyl]-4-(2-methoxyphenyl)piperazine;4-(5-fluoro-1H-indol-3-yl)cyclohexan-1-one;5-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methylindole;4-(5-fluoro-1-methylindol-3-yl)cyclohexan-1-one.

Molecular Properties

Compound Name1-[4-(6-fluoro-3H-inden-1-yl)cyclohexyl]-4-(2-methoxyphenyl)piperazine;4-(5-fluoro-1H-indol-3-yl)cyclohexan-1-one;5-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methylindole;4-(5-fluoro-1-methylindol-3-yl)cyclohexan-1-one
PubChem CID159134308
Molecular FormulaC82H92F4N8O3
Molecular Weight1313.68 g/mol
Exact Mass1312.72
IUPAC Name1-[4-(6-fluoro-3H-inden-1-yl)cyclohexyl]-4-(2-methoxyphenyl)piperazine;4-(5-fluoro-1H-indol-3-yl)cyclohexan-1-one;5-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methylindole;4-(5-fluoro-1-methylindol-3-yl)cyclohexan-1-one
SMILESCOc1ccccc1N1CCN(C2CCC(C3=CCc4ccc(F)cc43)CC2)CC1.Cn1cc(C2CCC(=O)CC2)c2cc(F)ccc21.Cn1cc(C2CCC(N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(F)ccc21.O=C1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C27H31FN4.C26H31FN2O.C15H16FNO.C14H14FNO/c1-30-18-24(23-17-20(28)7-10-26(23)30)19-5-8-21(9-6-19)31-13-15-32(16-14-31)27-4-2-3-25-22(27)11-12-29-25;1-30-26-5-3-2-4-25(26)29-16-14-28(15-17-29)22-11-7-19(8-12-22)23-13-9-20-6-10-21(27)18-24(20)23;1-17-9-14(10-2-5-12(18)6-3-10)13-8-11(16)4-7-15(13)17;15-10-3-6-14-12(7-10)13(8-16-14)9-1-4-11(17)5-2-9/h2-4,7,10-12,17-19,21,29H,5-6,8-9,13-16H2,1H3;2-6,10,13,18-19,22H,7-9,11-12,14-17H2,1H3;4,7-10H,2-3,5-6H2,1H3;3,6-9,16H,1-2,4-5H2
InChIKeyKHHCUYYSVCQKDT-UHFFFAOYSA-N
XLogP17.88
TPSA97.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001313.68
LogP ≤ 517.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-(6-fluoro-3H-inden-1-yl)cyclohexyl]-4-(2-methoxyphenyl)piperazine;4-(5-fluoro-1H-indol-3-yl)cyclohexan-1-one;5-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methylindole;4-(5-fluoro-1-methylindol-3-yl)cyclohexan-1-one with MolForge

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Related Compounds

4-[3,4-bis[4-(5-fluoro-1-benzofuran-3-yl)butyl]-1-(1H-indol-4-yl)piperazin-1-ium-1-yl]-1H-indole
CID 54268693
4-(6-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 57023349
4-(5-fluoro-1H-indol-3-yl)-cyclo-hexanoic acid [4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]amide
CID 57224276
1-(1-Aminocyclohexyl)-5-[5-[[5-[(2,6-dimethylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[5-[(2-methylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[5-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[5-[[2-(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]indol-1-yl]pentan-1-one
CID 158639602
2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)-1,5-bis[6-(trifluoromethyl)-3-pyridinyl]pentan-3-one
CID 174735227
1,5-bis(4-fluorophenyl)-2,4-bis(1H-indol-3-yl)-1,5-bis[(2-methoxy-4-pyridinyl)amino]pentan-3-one
CID 174735286
1,5-bis(2-fluorophenyl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one
CID 174735344
1,5-bis(4-fluorophenyl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one
CID 174735548
1,5-bis(3-fluorophenyl)-2,4-bis(1H-indol-3-yl)-1,5-bis[(2-methoxy-4-pyridinyl)amino]pentan-3-one
CID 175286372
2,10-Difluoro-6-[2-(3-methylpiperazin-1-yl)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole;6-[2-(3,5-dimethylpiperazin-1-yl)ethoxy]-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole
CID 68388389
1-Isocyanato-2-methoxybenzene;1-(2-methoxyphenyl)-3-[4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)phenyl]propan-2-one;1-methyl-3-(4-methylphenyl)pyrrolo[2,3-c]pyridine;4-(1-methylpyrrolo[2,3-c]pyridin-6-ium-3-yl)aniline
CID 158026762
4-(5-fluoro-1H-indol-3-yl)cyclohexan-1-one;5-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methylindole;5-fluoro-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexen-1-yl]-1H-indole;5-fluoro-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-1H-indole;4-(5-fluoro-1-methylindol-3-yl)cyclohexan-1-one;4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one
CID 159100618

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-3H-inden-1-yl)cyclohexyl]-4-(2-methoxyphenyl)piperazine;4-(5-fluoro-1H-indol-3-yl)cyclohexan-1-one;5-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methylindole;4-(5-fluoro-1-methylindol-3-yl)cyclohexan-1-one?
The IUPAC name of 1-[4-(6-fluoro-3H-inden-1-yl)cyclohexyl]-4-(2-methoxyphenyl)piperazine;4-(5-fluoro-1H-indol-3-yl)cyclohexan-1-one;5-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methylindole;4-(5-fluoro-1-methylindol-3-yl)cyclohexan-1-one (CID 159134308) is 1-[4-(6-fluoro-3H-inden-1-yl)cyclohexyl]-4-(2-methoxyphenyl)piperazine;4-(5-fluoro-1H-indol-3-yl)cyclohexan-1-one;5-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methylindole;4-(5-fluoro-1-methylindol-3-yl)cyclohexan-1-one.
What is the SMILES notation for 1-[4-(6-fluoro-3H-inden-1-yl)cyclohexyl]-4-(2-methoxyphenyl)piperazine;4-(5-fluoro-1H-indol-3-yl)cyclohexan-1-one;5-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methylindole;4-(5-fluoro-1-methylindol-3-yl)cyclohexan-1-one?
The canonical SMILES for 1-[4-(6-fluoro-3H-inden-1-yl)cyclohexyl]-4-(2-methoxyphenyl)piperazine;4-(5-fluoro-1H-indol-3-yl)cyclohexan-1-one;5-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methylindole;4-(5-fluoro-1-methylindol-3-yl)cyclohexan-1-one is COc1ccccc1N1CCN(C2CCC(C3=CCc4ccc(F)cc43)CC2)CC1.Cn1cc(C2CCC(=O)CC2)c2cc(F)ccc21.Cn1cc(C2CCC(N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(F)ccc21.O=C1CCC(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 1-[4-(6-fluoro-3H-inden-1-yl)cyclohexyl]-4-(2-methoxyphenyl)piperazine;4-(5-fluoro-1H-indol-3-yl)cyclohexan-1-one;5-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methylindole;4-(5-fluoro-1-methylindol-3-yl)cyclohexan-1-one?
The InChIKey is KHHCUYYSVCQKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4.C26H31FN2O.C15H16FNO.C14H14FNO/c1-30-18-24(23-17-20(28)7-10-26(23)30)19-5-8-21(9-6-19)31-13-15-32(16-14-31)27-4-2-3-25-22(27)11-12-29-25;1-30-26-5-3-2-4-25(26)29-16-14-28(15-17-29)22-11-7-19(8-12-22)23-13-9-20-6-10-21(27)18-24(20)23;1-17-9-14(10-2-5-12(18)6-3-10)13-8-11(16)4-7-15(13)17;15-10-3-6-14-12(7-10)13(8-16-14)9-1-4-11(17)5-2-9/h2-4,7,10-12,17-19,21,29H,5-6,8-9,13-16H2,1H3;2-6,10,13,18-19,22H,7-9,11-12,14-17H2,1H3;4,7-10H,2-3,5-6H2,1H3;3,6-9,16H,1-2,4-5H2.
What are the key properties of 1-[4-(6-fluoro-3H-inden-1-yl)cyclohexyl]-4-(2-methoxyphenyl)piperazine;4-(5-fluoro-1H-indol-3-yl)cyclohexan-1-one;5-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methylindole;4-(5-fluoro-1-methylindol-3-yl)cyclohexan-1-one?
1-[4-(6-fluoro-3H-inden-1-yl)cyclohexyl]-4-(2-methoxyphenyl)piperazine;4-(5-fluoro-1H-indol-3-yl)cyclohexan-1-one;5-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methylindole;4-(5-fluoro-1-methylindol-3-yl)cyclohexan-1-one has a molecular weight of 1313.68 g/mol, XLogP of 17.88, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-3H-inden-1-yl)cyclohexyl]-4-(2-methoxyphenyl)piperazine;4-(5-fluoro-1H-indol-3-yl)cyclohexan-1-one;5-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methylindole;4-(5-fluoro-1-methylindol-3-yl)cyclohexan-1-one is sourced from PubChem (CID 159134308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).