1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethoxy)indole-1-carbonyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[(5-methylsulfanylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-propan-2-ylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one

C103H102Cl8F6N8O11S — CID 158360692

IUPAC1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethoxy)indole-1-carbonyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[(5-methylsulfanylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-propan-2-ylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
SMILESCC(=O)C1CCN(C(=O)c2ccc(Cl)c(C(=O)n3cc(C)c4cc(OC(F)(F)F)cc(C)c43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(C(C)C)ccc43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(OC(F)(F)F)ccc43)c2Cl)CC1.CSc1ccc2c(ccn2Cc2c(Cl)ccc(C(=O)N3CCC(CC(C)=O)CC3)c2Cl)c1
InChIInChI=1S/C27H30Cl2N2O2.C26H23Cl2F3N2O4.C25H23Cl2F3N2O3.C25H26Cl2N2O2S/c1-17(2)20-4-7-25-21(15-20)10-13-31(25)16-23-24(28)6-5-22(26(23)29)27(33)30-11-8-19(9-12-30)14-18(3)32;1-13-10-17(37-26(29,30)31)11-19-14(2)12-33(23(13)19)25(36)21-20(27)5-4-18(22(21)28)24(35)32-8-6-16(7-9-32)15(3)34;1-15(33)12-16-6-9-31(10-7-16)24(34)19-3-4-21(26)20(23(19)27)14-32-11-8-17-13-18(2-5-22(17)32)35-25(28,29)30;1-16(30)13-17-7-10-28(11-8-17)25(31)20-4-5-22(26)21(24(20)27)15-29-12-9-18-14-19(32-2)3-6-23(18)29/h4-7,10,13,15,17,19H,8-9,11-12,14,16H2,1-3H3;4-5,10-12,16H,6-9H2,1-3H3;2-5,8,11,13,16H,6-7,9-10,12,14H2,1H3;3-6,9,12,14,17H,7-8,10-11,13,15H2,1-2H3
InChIKeyGTKXFMMSNQMKCN-UHFFFAOYSA-N
MW2057.67 g/mol
LogP26.82
Rot. Bonds22

About 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethoxy)indole-1-carbonyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[(5-methylsulfanylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-propan-2-ylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one

1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethoxy)indole-1-carbonyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[(5-methylsulfanylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-propan-2-ylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one (PubChem CID 158360692) has the molecular formula C103H102Cl8F6N8O11S and a molecular weight of 2057.67 g/mol. Its IUPAC name is 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethoxy)indole-1-carbonyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[(5-methylsulfanylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-propan-2-ylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethoxy)indole-1-carbonyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[(5-methylsulfanylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-propan-2-ylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
PubChem CID158360692
Molecular FormulaC103H102Cl8F6N8O11S
Molecular Weight2057.67 g/mol
Exact Mass2052.48
IUPAC Name1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethoxy)indole-1-carbonyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[(5-methylsulfanylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-propan-2-ylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
SMILESCC(=O)C1CCN(C(=O)c2ccc(Cl)c(C(=O)n3cc(C)c4cc(OC(F)(F)F)cc(C)c43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(C(C)C)ccc43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(OC(F)(F)F)ccc43)c2Cl)CC1.CSc1ccc2c(ccn2Cc2c(Cl)ccc(C(=O)N3CCC(CC(C)=O)CC3)c2Cl)c1
InChIInChI=1S/C27H30Cl2N2O2.C26H23Cl2F3N2O4.C25H23Cl2F3N2O3.C25H26Cl2N2O2S/c1-17(2)20-4-7-25-21(15-20)10-13-31(25)16-23-24(28)6-5-22(26(23)29)27(33)30-11-8-19(9-12-30)14-18(3)32;1-13-10-17(37-26(29,30)31)11-19-14(2)12-33(23(13)19)25(36)21-20(27)5-4-18(22(21)28)24(35)32-8-6-16(7-9-32)15(3)34;1-15(33)12-16-6-9-31(10-7-16)24(34)19-3-4-21(26)20(23(19)27)14-32-11-8-17-13-18(2-5-22(17)32)35-25(28,29)30;1-16(30)13-17-7-10-28(11-8-17)25(31)20-4-5-22(26)21(24(20)27)15-29-12-9-18-14-19(32-2)3-6-23(18)29/h4-7,10,13,15,17,19H,8-9,11-12,14,16H2,1-3H3;4-5,10-12,16H,6-9H2,1-3H3;2-5,8,11,13,16H,6-7,9-10,12,14H2,1H3;3-6,9,12,14,17H,7-8,10-11,13,15H2,1-2H3
InChIKeyGTKXFMMSNQMKCN-UHFFFAOYSA-N
XLogP26.82
TPSA204.77 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002057.67
LogP ≤ 526.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethoxy)indole-1-carbonyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[(5-methylsulfanylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-propan-2-ylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one with MolForge

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Related Compounds

1-[1-[2,4-Dichloro-3-[[5-(difluoromethoxy)-7-methylindol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[7-methyl-5-(trifluoromethoxy)indole-1-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[7-methyl-5-(trifluoromethoxy)indole-1-carbonyl]phenyl]-[6-(2-hydroxyprop-2-enyl)-2-azaspiro[3.3]heptan-2-yl]methanone;1-[1-[2,4-dimethyl-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
CID 157795990
1-[(3S,4S)-1-[2,4-dichloro-3-[[4-fluoro-1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[4-fluoro-1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[4-fluoro-1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(6-methoxy-1,4-dimethylindol-2-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one
CID 158010625
[2,4-dichloro-3-[[6-(1,1-difluoroethoxy)-1,4-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-3-yl]methyl]benzoyl]piperidin-4-yl]ethanone
CID 159188945
1-[1-[2,4-dichloro-3-[[6-(difluoromethoxy)-1,4-dimethylindol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[6-(difluoromethoxy)-1,4-dimethylindol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[6-(difluoromethoxy)-1,4-dimethylindol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[(3R,4R)-1-[2,4-dichloro-3-[[4-fluoro-1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone
CID 159715903
4-[1-[2,4-Dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethoxy)indol-1-yl]methyl]phenyl]-[6-(2-hydroxyprop-2-enyl)-2-azaspiro[3.3]heptan-2-yl]methanone;1-[1-[2,4-dichloro-3-[[4-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
CID 160979590
1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethoxy)indole-1-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;1-[(3R,4R)-1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
CID 161696287

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethoxy)indole-1-carbonyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[(5-methylsulfanylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-propan-2-ylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?
The IUPAC name of 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethoxy)indole-1-carbonyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[(5-methylsulfanylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-propan-2-ylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one (CID 158360692) is 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethoxy)indole-1-carbonyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[(5-methylsulfanylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-propan-2-ylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one.
What is the SMILES notation for 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethoxy)indole-1-carbonyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[(5-methylsulfanylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-propan-2-ylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?
The canonical SMILES for 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethoxy)indole-1-carbonyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[(5-methylsulfanylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-propan-2-ylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one is CC(=O)C1CCN(C(=O)c2ccc(Cl)c(C(=O)n3cc(C)c4cc(OC(F)(F)F)cc(C)c43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(C(C)C)ccc43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(OC(F)(F)F)ccc43)c2Cl)CC1.CSc1ccc2c(ccn2Cc2c(Cl)ccc(C(=O)N3CCC(CC(C)=O)CC3)c2Cl)c1.
What is the InChIKey of 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethoxy)indole-1-carbonyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[(5-methylsulfanylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-propan-2-ylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?
The InChIKey is GTKXFMMSNQMKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30Cl2N2O2.C26H23Cl2F3N2O4.C25H23Cl2F3N2O3.C25H26Cl2N2O2S/c1-17(2)20-4-7-25-21(15-20)10-13-31(25)16-23-24(28)6-5-22(26(23)29)27(33)30-11-8-19(9-12-30)14-18(3)32;1-13-10-17(37-26(29,30)31)11-19-14(2)12-33(23(13)19)25(36)21-20(27)5-4-18(22(21)28)24(35)32-8-6-16(7-9-32)15(3)34;1-15(33)12-16-6-9-31(10-7-16)24(34)19-3-4-21(26)20(23(19)27)14-32-11-8-17-13-18(2-5-22(17)32)35-25(28,29)30;1-16(30)13-17-7-10-28(11-8-17)25(31)20-4-5-22(26)21(24(20)27)15-29-12-9-18-14-19(32-2)3-6-23(18)29/h4-7,10,13,15,17,19H,8-9,11-12,14,16H2,1-3H3;4-5,10-12,16H,6-9H2,1-3H3;2-5,8,11,13,16H,6-7,9-10,12,14H2,1H3;3-6,9,12,14,17H,7-8,10-11,13,15H2,1-2H3.
What are the key properties of 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethoxy)indole-1-carbonyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[(5-methylsulfanylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-propan-2-ylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?
1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethoxy)indole-1-carbonyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[(5-methylsulfanylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-propan-2-ylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one has a molecular weight of 2057.67 g/mol, XLogP of 26.82, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethoxy)indole-1-carbonyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[(5-methylsulfanylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[(5-propan-2-ylindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethoxy)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one is sourced from PubChem (CID 158360692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).