1-[1-[2,4-dichloro-3-[(7-chloroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one

C74H68Cl8F6N6O6 — CID 160814300

IUPAC1-[1-[2,4-dichloro-3-[(7-chloroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
SMILESCC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(C(F)(F)F)cc(Cl)c43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(C(F)(F)F)ccc43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cccc(Cl)c43)c2Cl)CC1
InChIInChI=1S/C25H22Cl3F3N2O2.C25H23Cl2F3N2O2.C24H23Cl3N2O2/c1-14(34)10-15-4-7-32(8-5-15)24(35)18-2-3-20(26)19(22(18)28)13-33-9-6-16-11-17(25(29,30)31)12-21(27)23(16)33;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(25(28,29)30)2-5-22(17)32;1-15(30)13-16-7-10-28(11-8-16)24(31)18-5-6-20(25)19(22(18)27)14-29-12-9-17-3-2-4-21(26)23(17)29/h2-3,6,9,11-12,15H,4-5,7-8,10,13H2,1H3;2-5,8,11,13,16H,6-7,9-10,12,14H2,1H3;2-6,9,12,16H,7-8,10-11,13-14H2,1H3
InChIKeySERZRUUXTKJSQO-UHFFFAOYSA-N
MW1535.01 g/mol
LogP20.83
Rot. Bonds15

About 1-[1-[2,4-dichloro-3-[(7-chloroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one

1-[1-[2,4-dichloro-3-[(7-chloroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one (PubChem CID 160814300) has the molecular formula C74H68Cl8F6N6O6 and a molecular weight of 1535.01 g/mol. Its IUPAC name is 1-[1-[2,4-dichloro-3-[(7-chloroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[2,4-dichloro-3-[(7-chloroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
PubChem CID160814300
Molecular FormulaC74H68Cl8F6N6O6
Molecular Weight1535.01 g/mol
Exact Mass1530.26
IUPAC Name1-[1-[2,4-dichloro-3-[(7-chloroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
SMILESCC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(C(F)(F)F)cc(Cl)c43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(C(F)(F)F)ccc43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cccc(Cl)c43)c2Cl)CC1
InChIInChI=1S/C25H22Cl3F3N2O2.C25H23Cl2F3N2O2.C24H23Cl3N2O2/c1-14(34)10-15-4-7-32(8-5-15)24(35)18-2-3-20(26)19(22(18)28)13-33-9-6-16-11-17(25(29,30)31)12-21(27)23(16)33;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(25(28,29)30)2-5-22(17)32;1-15(30)13-16-7-10-28(11-8-16)24(31)18-5-6-20(25)19(22(18)27)14-29-12-9-17-3-2-4-21(26)23(17)29/h2-3,6,9,11-12,15H,4-5,7-8,10,13H2,1H3;2-5,8,11,13,16H,6-7,9-10,12,14H2,1H3;2-6,9,12,16H,7-8,10-11,13-14H2,1H3
InChIKeySERZRUUXTKJSQO-UHFFFAOYSA-N
XLogP20.83
TPSA126.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001535.01
LogP ≤ 520.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[1-[2,4-dichloro-3-[(7-chloroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one with MolForge

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Related Compounds

2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide
CID 87661340
1-[1-[2,4-Dichloro-3-[1-[5-(1,1-difluoroethyl)-3,7-dimethylindol-1-yl]ethenyl]benzoyl]piperidin-4-yl]butan-2-one
CID 145206615
[2,4-Dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone
CID 146493670
N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1-methylindol-5-yl]acetyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;1-[5-[2-[2-(3-chlorophenyl)-1-methylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide
CID 157130849
N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1-methylindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-(1-ethylindol-5-yl)acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide
CID 157675599
N-[[5-[2-[2-(2-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[5-[2-[2-(3-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[5-[2-[2-(4-chlorophenyl)-1-methylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide
CID 157743557
1-[1-[2,4-Dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[3,7-dimethyl-5-(trifluoromethyl)indol-1-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 158366068
hexakis(carbon dioxide);N-[(1S)-1-(2-chloro-3-fluorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-dichlorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-pyridin-4-ylethyl]indole-5-carboxamide;N-[(2-fluoro-4-methylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 158727432
1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;[3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone;[3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone
CID 158825907
1-Chloropyrrolidine-2,5-dione;1-(3-chloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;1-(3,8-dichloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]-1-quinolin-6-ylethanone
CID 158827128
1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]ethanone;ethyl (3R,4R)-1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;ethyl (3S,4S)-1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidine-4-carboxylate
CID 158943656
1-[1-[2,4-Dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]propan-2-one;4-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-3-methylbutan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one
CID 158999844

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,4-dichloro-3-[(7-chloroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?
The IUPAC name of 1-[1-[2,4-dichloro-3-[(7-chloroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one (CID 160814300) is 1-[1-[2,4-dichloro-3-[(7-chloroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one.
What is the SMILES notation for 1-[1-[2,4-dichloro-3-[(7-chloroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?
The canonical SMILES for 1-[1-[2,4-dichloro-3-[(7-chloroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one is CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(C(F)(F)F)cc(Cl)c43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(C(F)(F)F)ccc43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cccc(Cl)c43)c2Cl)CC1.
What is the InChIKey of 1-[1-[2,4-dichloro-3-[(7-chloroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?
The InChIKey is SERZRUUXTKJSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl3F3N2O2.C25H23Cl2F3N2O2.C24H23Cl3N2O2/c1-14(34)10-15-4-7-32(8-5-15)24(35)18-2-3-20(26)19(22(18)28)13-33-9-6-16-11-17(25(29,30)31)12-21(27)23(16)33;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(25(28,29)30)2-5-22(17)32;1-15(30)13-16-7-10-28(11-8-16)24(31)18-5-6-20(25)19(22(18)27)14-29-12-9-17-3-2-4-21(26)23(17)29/h2-3,6,9,11-12,15H,4-5,7-8,10,13H2,1H3;2-5,8,11,13,16H,6-7,9-10,12,14H2,1H3;2-6,9,12,16H,7-8,10-11,13-14H2,1H3.
What are the key properties of 1-[1-[2,4-dichloro-3-[(7-chloroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?
1-[1-[2,4-dichloro-3-[(7-chloroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one has a molecular weight of 1535.01 g/mol, XLogP of 20.83, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2,4-dichloro-3-[(7-chloroindol-1-yl)methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one is sourced from PubChem (CID 160814300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).