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

C104H100Cl8F12N8O9 — CID 158010625

IUPAC1-[(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
SMILESCC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(F)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(F)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)[C@H]1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(F)cc(C(F)(F)F)cc4n3C)c2Cl)C[C@H]1C.COc1cc(C)c2cc(Cc3c(Cl)ccc(C(=O)N4CCC(CC(C)=O)CC4)c3Cl)n(C)c2c1
InChIInChI=1S/C27H30Cl2N2O3.2C26H24Cl2F4N2O2.C25H22Cl2F4N2O2/c1-16-11-20(34-4)15-25-22(16)13-19(30(25)3)14-23-24(28)6-5-21(26(23)29)27(33)31-9-7-18(8-10-31)12-17(2)32;1-13-12-34(7-6-17(13)14(2)35)25(36)18-4-5-21(27)19(24(18)28)10-16-11-20-22(29)8-15(26(30,31)32)9-23(20)33(16)3;1-14(35)9-15-5-7-34(8-6-15)25(36)18-3-4-21(27)19(24(18)28)12-17-13-20-22(29)10-16(26(30,31)32)11-23(20)33(17)2;1-13(34)14-5-7-33(8-6-14)24(35)17-3-4-20(26)18(23(17)27)11-16-12-19-21(28)9-15(25(29,30)31)10-22(19)32(16)2/h5-6,11,13,15,18H,7-10,12,14H2,1-4H3;4-5,8-9,11,13,17H,6-7,10,12H2,1-3H3;3-4,10-11,13,15H,5-9,12H2,1-2H3;3-4,9-10,12,14H,5-8,11H2,1-2H3/t;13-,17+;;/m.1../s1
InChIKeyFEVLOIJPJNETQK-ISZKUGOHSA-N
MW2117.59 g/mol
LogP26.89
Rot. Bonds19

About 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

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 (PubChem CID 158010625) has the molecular formula C104H100Cl8F12N8O9 and a molecular weight of 2117.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID158010625
Molecular FormulaC104H100Cl8F12N8O9
Molecular Weight2117.59 g/mol
Exact Mass2112.49
IUPAC Name1-[(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
SMILESCC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(F)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(F)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)[C@H]1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(F)cc(C(F)(F)F)cc4n3C)c2Cl)C[C@H]1C.COc1cc(C)c2cc(Cc3c(Cl)ccc(C(=O)N4CCC(CC(C)=O)CC4)c3Cl)n(C)c2c1
InChIInChI=1S/C27H30Cl2N2O3.2C26H24Cl2F4N2O2.C25H22Cl2F4N2O2/c1-16-11-20(34-4)15-25-22(16)13-19(30(25)3)14-23-24(28)6-5-21(26(23)29)27(33)31-9-7-18(8-10-31)12-17(2)32;1-13-12-34(7-6-17(13)14(2)35)25(36)18-4-5-21(27)19(24(18)28)10-16-11-20-22(29)8-15(26(30,31)32)9-23(20)33(16)3;1-14(35)9-15-5-7-34(8-6-15)25(36)18-3-4-21(27)19(24(18)28)12-17-13-20-22(29)10-16(26(30,31)32)11-23(20)33(17)2;1-13(34)14-5-7-33(8-6-14)24(35)17-3-4-20(26)18(23(17)27)11-16-12-19-21(28)9-15(25(29,30)31)10-22(19)32(16)2/h5-6,11,13,15,18H,7-10,12,14H2,1-4H3;4-5,8-9,11,13,17H,6-7,10,12H2,1-3H3;3-4,10-11,13,15H,5-9,12H2,1-2H3;3-4,9-10,12,14H,5-8,11H2,1-2H3/t;13-,17+;;/m.1../s1
InChIKeyFEVLOIJPJNETQK-ISZKUGOHSA-N
XLogP26.89
TPSA178.47 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002117.59
LogP ≤ 526.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(F)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(F)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)[C@H]1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(F)cc(C(F)(F)F)cc4n3C)c2Cl)C[C@H]1C.COc1cc(C)c2cc(Cc3c(Cl)ccc(C(=O)N4CCC(CC(C)=O)CC4)c3Cl)n(C)c2c1.
What is the InChIKey of 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?
The InChIKey is FEVLOIJPJNETQK-ISZKUGOHSA-N. The full InChI is InChI=1S/C27H30Cl2N2O3.2C26H24Cl2F4N2O2.C25H22Cl2F4N2O2/c1-16-11-20(34-4)15-25-22(16)13-19(30(25)3)14-23-24(28)6-5-21(26(23)29)27(33)31-9-7-18(8-10-31)12-17(2)32;1-13-12-34(7-6-17(13)14(2)35)25(36)18-4-5-21(27)19(24(18)28)10-16-11-20-22(29)8-15(26(30,31)32)9-23(20)33(16)3;1-14(35)9-15-5-7-34(8-6-15)25(36)18-3-4-21(27)19(24(18)28)12-17-13-20-22(29)10-16(26(30,31)32)11-23(20)33(17)2;1-13(34)14-5-7-33(8-6-14)24(35)17-3-4-20(26)18(23(17)27)11-16-12-19-21(28)9-15(25(29,30)31)10-22(19)32(16)2/h5-6,11,13,15,18H,7-10,12,14H2,1-4H3;4-5,8-9,11,13,17H,6-7,10,12H2,1-3H3;3-4,10-11,13,15H,5-9,12H2,1-2H3;3-4,9-10,12,14H,5-8,11H2,1-2H3/t;13-,17+;;/m.1../s1.
What are the key properties of 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?
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 has a molecular weight of 2117.59 g/mol, XLogP of 26.89, 19 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158010625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).