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

C106H110Cl4F12N8O7 — CID 158825907

IUPAC1-[(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
SMILESCC(=O)[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cc3cn(C)c4cc(C(F)(F)F)cc(C)c34)c2Cl)C[C@@H]1C.CC(=O)[C@H]1CCN(C(=O)c2ccc(Cl)c(Cc3cn(C)c4cc(C(F)(F)F)cc(C)c34)c2Cl)C[C@H]1C.Cc1ccc(C(=O)N2CCCCC2)c(C)c1C(=O)c1cc2c(C)cc(C(F)(F)F)cc2n1C.Cc1ccc(C(=O)N2CCCCC2)c(C)c1Cc1cc2c(C)cc(C(F)(F)F)cc2n1C
InChIInChI=1S/2C27H27Cl2F3N2O2.C26H27F3N2O2.C26H29F3N2O/c2*1-14-9-18(27(30,31)32)11-23-24(14)17(13-33(23)4)10-21-22(28)6-5-20(25(21)29)26(36)34-8-7-19(16(3)35)15(2)12-34;1-15-8-9-19(25(33)31-10-6-5-7-11-31)17(3)23(15)24(32)22-14-20-16(2)12-18(26(27,28)29)13-21(20)30(22)4;1-16-8-9-21(25(32)31-10-6-5-7-11-31)18(3)22(16)14-20-15-23-17(2)12-19(26(27,28)29)13-24(23)30(20)4/h2*5-6,9,11,13,15,19H,7-8,10,12H2,1-4H3;8-9,12-14H,5-7,10-11H2,1-4H3;8-9,12-13,15H,5-7,10-11,14H2,1-4H3/t2*15-,19+;;/m10../s1
InChIKeyIWLKXUBHFJNCGQ-MHLLWVKYSA-N
MW1977.88 g/mol
LogP26.50
Rot. Bonds14

About 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

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 (PubChem CID 158825907) has the molecular formula C106H110Cl4F12N8O7 and a molecular weight of 1977.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID158825907
Molecular FormulaC106H110Cl4F12N8O7
Molecular Weight1977.88 g/mol
Exact Mass1974.71
IUPAC Name1-[(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
SMILESCC(=O)[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cc3cn(C)c4cc(C(F)(F)F)cc(C)c34)c2Cl)C[C@@H]1C.CC(=O)[C@H]1CCN(C(=O)c2ccc(Cl)c(Cc3cn(C)c4cc(C(F)(F)F)cc(C)c34)c2Cl)C[C@H]1C.Cc1ccc(C(=O)N2CCCCC2)c(C)c1C(=O)c1cc2c(C)cc(C(F)(F)F)cc2n1C.Cc1ccc(C(=O)N2CCCCC2)c(C)c1Cc1cc2c(C)cc(C(F)(F)F)cc2n1C
InChIInChI=1S/2C27H27Cl2F3N2O2.C26H27F3N2O2.C26H29F3N2O/c2*1-14-9-18(27(30,31)32)11-23-24(14)17(13-33(23)4)10-21-22(28)6-5-20(25(21)29)26(36)34-8-7-19(16(3)35)15(2)12-34;1-15-8-9-19(25(33)31-10-6-5-7-11-31)17(3)23(15)24(32)22-14-20-16(2)12-18(26(27,28)29)13-21(20)30(22)4;1-16-8-9-21(25(32)31-10-6-5-7-11-31)18(3)22(16)14-20-15-23-17(2)12-19(26(27,28)29)13-24(23)30(20)4/h2*5-6,9,11,13,15,19H,7-8,10,12H2,1-4H3;8-9,12-14H,5-7,10-11H2,1-4H3;8-9,12-13,15H,5-7,10-11,14H2,1-4H3/t2*15-,19+;;/m10../s1
InChIKeyIWLKXUBHFJNCGQ-MHLLWVKYSA-N
XLogP26.50
TPSA152.17 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001977.88
LogP ≤ 526.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

[2,4-Dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-b]pyridine-2-carbonyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-methylpyrrolo[3,2-c]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[(6-ethynyl-1,4-dimethylpyrrolo[3,2-c]pyridin-2-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 157187279
1-[1-[2,4-Dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]azetidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]oxypropan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]pyrrolidin-3-yl]ethanone
CID 157450400
1-[(1R,5S)-3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[4-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperazin-1-yl]propan-2-one;1-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;ethyl (3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl (3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate
CID 157458129
2-(4-acetylcyclohexyl)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]ethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;[2,4-dichloro-3-[(1,4,6-trimethylindol-2-yl)methyl]phenyl]-[(3R,4S)-4-(1-hydroxyethenyl)-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[(1,4,6-trimethylindol-2-yl)methyl]phenyl]-[(3S,4R)-4-(1-hydroxyethenyl)-3-methylpiperidin-1-yl]methanone
CID 157540236
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
[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-ethyl-4-methylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-piperidin-1-ylmethanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-indol-2-yl]methyl]phenyl]-piperidin-1-ylmethanone;1-[2-[[2,6-dichloro-3-(morpholine-4-carbonyl)phenyl]methyl]-6-(1,1-difluoroethyl)-4-methylindol-1-yl]ethanone
CID 157696111
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
2-[1-[5-(4-Cyclobutylpiperidine-1-carbonyl)-2,4-dimethyl-3-pyridinyl]ethenyl]-1,4-dimethylindole-6-carbonitrile;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-fluoropiperidin-4-yl]ethanone;1-[1-[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethylpyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone
CID 158087128
1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylazetidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]pyrrolidin-3-yl]propan-2-one
CID 158123652
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
(4-Cyclobutylpiperazin-1-yl)-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate
CID 158514314
2-[[2,6-Dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]butan-2-one;1-[3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]cyclobutyl]ethanone;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]-3-methylbutan-2-one;1-[1-[2,4-dichloro-3-[[1,5-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone
CID 158651179

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cc3cn(C)c4cc(C(F)(F)F)cc(C)c34)c2Cl)C[C@@H]1C.CC(=O)[C@H]1CCN(C(=O)c2ccc(Cl)c(Cc3cn(C)c4cc(C(F)(F)F)cc(C)c34)c2Cl)C[C@H]1C.Cc1ccc(C(=O)N2CCCCC2)c(C)c1C(=O)c1cc2c(C)cc(C(F)(F)F)cc2n1C.Cc1ccc(C(=O)N2CCCCC2)c(C)c1Cc1cc2c(C)cc(C(F)(F)F)cc2n1C.
What is the InChIKey of 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?
The InChIKey is IWLKXUBHFJNCGQ-MHLLWVKYSA-N. The full InChI is InChI=1S/2C27H27Cl2F3N2O2.C26H27F3N2O2.C26H29F3N2O/c2*1-14-9-18(27(30,31)32)11-23-24(14)17(13-33(23)4)10-21-22(28)6-5-20(25(21)29)26(36)34-8-7-19(16(3)35)15(2)12-34;1-15-8-9-19(25(33)31-10-6-5-7-11-31)17(3)23(15)24(32)22-14-20-16(2)12-18(26(27,28)29)13-21(20)30(22)4;1-16-8-9-21(25(32)31-10-6-5-7-11-31)18(3)22(16)14-20-15-23-17(2)12-19(26(27,28)29)13-24(23)30(20)4/h2*5-6,9,11,13,15,19H,7-8,10,12H2,1-4H3;8-9,12-14H,5-7,10-11H2,1-4H3;8-9,12-13,15H,5-7,10-11,14H2,1-4H3/t2*15-,19+;;/m10../s1.
What are the key properties of 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?
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 has a molecular weight of 1977.88 g/mol, XLogP of 26.50, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158825907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).