[3-[(6-bromo-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]-piperidin-1-ylmethanone;[2,4-dichloro-3-[(1,4-dimethyl-6-morpholin-4-ylindol-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3,3-difluoropiperidin-4-yl]ethanone;1-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]propan-2-one

C102H103BrCl8F8N10O7 — CID 161446435

IUPAC[3-[(6-bromo-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]-piperidin-1-ylmethanone;[2,4-dichloro-3-[(1,4-dimethyl-6-morpholin-4-ylindol-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3,3-difluoropiperidin-4-yl]ethanone;1-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]propan-2-one
SMILESCC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1(F)F.CC(=O)CN1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.Cc1cc(Br)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCCCC3)c1Cl)n2C.Cc1cc(N2CCOCC2)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCCCC3)c1Cl)n2C
InChIInChI=1S/C27H31Cl2N3O2.C26H23Cl2F5N2O2.C26H26Cl2F3N3O2.C23H23BrCl2N2O/c1-18-14-20(31-10-12-34-13-11-31)17-25-22(18)15-19(30(25)2)16-23-24(28)7-6-21(26(23)29)27(33)32-8-4-3-5-9-32;1-13-8-15(26(31,32)33)9-22-18(13)10-16(34(22)3)11-19-21(27)5-4-17(23(19)28)24(37)35-7-6-20(14(2)36)25(29,30)12-35;1-15-10-17(26(29,30)31)11-23-20(15)12-18(32(23)3)13-21-22(27)5-4-19(24(21)28)25(36)34-8-6-33(7-9-34)14-16(2)35;1-14-10-15(24)11-21-18(14)12-16(27(21)2)13-19-20(25)7-6-17(22(19)26)23(29)28-8-4-3-5-9-28/h6-7,14-15,17H,3-5,8-13,16H2,1-2H3;4-5,8-10,20H,6-7,11-12H2,1-3H3;4-5,10-12H,6-9,13-14H2,1-3H3;6-7,10-12H,3-5,8-9,13H2,1-2H3
InChIKeyVZYKQFRRURNNPL-UHFFFAOYSA-N
MW2096.52 g/mol
LogP25.46
Rot. Bonds16

About [3-[(6-bromo-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]-piperidin-1-ylmethanone;[2,4-dichloro-3-[(1,4-dimethyl-6-morpholin-4-ylindol-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3,3-difluoropiperidin-4-yl]ethanone;1-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]propan-2-one

[3-[(6-bromo-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]-piperidin-1-ylmethanone;[2,4-dichloro-3-[(1,4-dimethyl-6-morpholin-4-ylindol-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3,3-difluoropiperidin-4-yl]ethanone;1-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]propan-2-one (PubChem CID 161446435) has the molecular formula C102H103BrCl8F8N10O7 and a molecular weight of 2096.52 g/mol. Its IUPAC name is [3-[(6-bromo-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]-piperidin-1-ylmethanone;[2,4-dichloro-3-[(1,4-dimethyl-6-morpholin-4-ylindol-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3,3-difluoropiperidin-4-yl]ethanone;1-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]propan-2-one.

Molecular Properties

Compound Name[3-[(6-bromo-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]-piperidin-1-ylmethanone;[2,4-dichloro-3-[(1,4-dimethyl-6-morpholin-4-ylindol-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3,3-difluoropiperidin-4-yl]ethanone;1-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]propan-2-one
PubChem CID161446435
Molecular FormulaC102H103BrCl8F8N10O7
Molecular Weight2096.52 g/mol
Exact Mass2090.46
IUPAC Name[3-[(6-bromo-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]-piperidin-1-ylmethanone;[2,4-dichloro-3-[(1,4-dimethyl-6-morpholin-4-ylindol-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3,3-difluoropiperidin-4-yl]ethanone;1-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]propan-2-one
SMILESCC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1(F)F.CC(=O)CN1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.Cc1cc(Br)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCCCC3)c1Cl)n2C.Cc1cc(N2CCOCC2)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCCCC3)c1Cl)n2C
InChIInChI=1S/C27H31Cl2N3O2.C26H23Cl2F5N2O2.C26H26Cl2F3N3O2.C23H23BrCl2N2O/c1-18-14-20(31-10-12-34-13-11-31)17-25-22(18)15-19(30(25)2)16-23-24(28)7-6-21(26(23)29)27(33)32-8-4-3-5-9-32;1-13-8-15(26(31,32)33)9-22-18(13)10-16(34(22)3)11-19-21(27)5-4-17(23(19)28)24(37)35-7-6-20(14(2)36)25(29,30)12-35;1-15-10-17(26(29,30)31)11-23-20(15)12-18(32(23)3)13-21-22(27)5-4-19(24(21)28)25(36)34-8-6-33(7-9-34)14-16(2)35;1-14-10-15(24)11-21-18(14)12-16(27(21)2)13-19-20(25)7-6-17(22(19)26)23(29)28-8-4-3-5-9-28/h6-7,14-15,17H,3-5,8-13,16H2,1-2H3;4-5,8-10,20H,6-7,11-12H2,1-3H3;4-5,10-12H,6-9,13-14H2,1-3H3;6-7,10-12H,3-5,8-9,13H2,1-2H3
InChIKeyVZYKQFRRURNNPL-UHFFFAOYSA-N
XLogP25.46
TPSA150.81 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002096.52
LogP ≤ 525.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze [3-[(6-bromo-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]-piperidin-1-ylmethanone;[2,4-dichloro-3-[(1,4-dimethyl-6-morpholin-4-ylindol-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3,3-difluoropiperidin-4-yl]ethanone;1-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]propan-2-one with MolForge

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Related Compounds

(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
[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1,7-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-7-methyl-1H-indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;ethyl 2-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]acetate
CID 159714117
1-[4-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[(3R,4R)-4-fluoro-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 162017020

Frequently Asked Questions

What is the IUPAC name of [3-[(6-bromo-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]-piperidin-1-ylmethanone;[2,4-dichloro-3-[(1,4-dimethyl-6-morpholin-4-ylindol-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3,3-difluoropiperidin-4-yl]ethanone;1-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]propan-2-one?
The IUPAC name of [3-[(6-bromo-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]-piperidin-1-ylmethanone;[2,4-dichloro-3-[(1,4-dimethyl-6-morpholin-4-ylindol-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3,3-difluoropiperidin-4-yl]ethanone;1-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]propan-2-one (CID 161446435) is [3-[(6-bromo-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]-piperidin-1-ylmethanone;[2,4-dichloro-3-[(1,4-dimethyl-6-morpholin-4-ylindol-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3,3-difluoropiperidin-4-yl]ethanone;1-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]propan-2-one.
What is the SMILES notation for [3-[(6-bromo-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]-piperidin-1-ylmethanone;[2,4-dichloro-3-[(1,4-dimethyl-6-morpholin-4-ylindol-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3,3-difluoropiperidin-4-yl]ethanone;1-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]propan-2-one?
The canonical SMILES for [3-[(6-bromo-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]-piperidin-1-ylmethanone;[2,4-dichloro-3-[(1,4-dimethyl-6-morpholin-4-ylindol-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3,3-difluoropiperidin-4-yl]ethanone;1-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]propan-2-one is CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1(F)F.CC(=O)CN1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.Cc1cc(Br)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCCCC3)c1Cl)n2C.Cc1cc(N2CCOCC2)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCCCC3)c1Cl)n2C.
What is the InChIKey of [3-[(6-bromo-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]-piperidin-1-ylmethanone;[2,4-dichloro-3-[(1,4-dimethyl-6-morpholin-4-ylindol-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3,3-difluoropiperidin-4-yl]ethanone;1-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]propan-2-one?
The InChIKey is VZYKQFRRURNNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31Cl2N3O2.C26H23Cl2F5N2O2.C26H26Cl2F3N3O2.C23H23BrCl2N2O/c1-18-14-20(31-10-12-34-13-11-31)17-25-22(18)15-19(30(25)2)16-23-24(28)7-6-21(26(23)29)27(33)32-8-4-3-5-9-32;1-13-8-15(26(31,32)33)9-22-18(13)10-16(34(22)3)11-19-21(27)5-4-17(23(19)28)24(37)35-7-6-20(14(2)36)25(29,30)12-35;1-15-10-17(26(29,30)31)11-23-20(15)12-18(32(23)3)13-21-22(27)5-4-19(24(21)28)25(36)34-8-6-33(7-9-34)14-16(2)35;1-14-10-15(24)11-21-18(14)12-16(27(21)2)13-19-20(25)7-6-17(22(19)26)23(29)28-8-4-3-5-9-28/h6-7,14-15,17H,3-5,8-13,16H2,1-2H3;4-5,8-10,20H,6-7,11-12H2,1-3H3;4-5,10-12H,6-9,13-14H2,1-3H3;6-7,10-12H,3-5,8-9,13H2,1-2H3.
What are the key properties of [3-[(6-bromo-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]-piperidin-1-ylmethanone;[2,4-dichloro-3-[(1,4-dimethyl-6-morpholin-4-ylindol-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3,3-difluoropiperidin-4-yl]ethanone;1-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]propan-2-one?
[3-[(6-bromo-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]-piperidin-1-ylmethanone;[2,4-dichloro-3-[(1,4-dimethyl-6-morpholin-4-ylindol-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3,3-difluoropiperidin-4-yl]ethanone;1-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]propan-2-one has a molecular weight of 2096.52 g/mol, XLogP of 25.46, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-bromo-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]-piperidin-1-ylmethanone;[2,4-dichloro-3-[(1,4-dimethyl-6-morpholin-4-ylindol-2-yl)methyl]phenyl]-piperidin-1-ylmethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3,3-difluoropiperidin-4-yl]ethanone;1-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]propan-2-one is sourced from PubChem (CID 161446435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).