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

C106H106Cl8F10N8O11 — CID 159715903

IUPAC1-[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
SMILESCC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(OC(F)F)cc4n3C)c2Cl)CC1.CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(OC(F)F)cc4n3C)c2Cl)CC1C.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(OC(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
InChIInChI=1S/2C27H28Cl2F2N2O3.C26H24Cl2F4N2O2.C26H26Cl2F2N2O3/c1-14-9-18(36-27(30)31)12-24-21(14)10-17(32(24)4)11-22-23(28)6-5-20(25(22)29)26(35)33-8-7-19(16(3)34)15(2)13-33;1-15-10-19(36-27(30)31)14-24-21(15)12-18(32(24)3)13-22-23(28)5-4-20(25(22)29)26(35)33-8-6-17(7-9-33)11-16(2)34;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;1-14-10-18(35-26(29)30)13-23-20(14)11-17(31(23)3)12-21-22(27)5-4-19(24(21)28)25(34)32-8-6-16(7-9-32)15(2)33/h5-6,9-10,12,15,19,27H,7-8,11,13H2,1-4H3;4-5,10,12,14,17,27H,6-9,11,13H2,1-3H3;4-5,8-9,11,13,17H,6-7,10,12H2,1-3H3;4-5,10-11,13,16,26H,6-9,12H2,1-3H3/t;;13-,17+;/m..0./s1
InChIKeyMZKREDMMKPQXAW-IPJCZPCYSA-N
MW2141.66 g/mol
LogP26.84
Rot. Bonds23

About 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

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 (PubChem CID 159715903) has the molecular formula C106H106Cl8F10N8O11 and a molecular weight of 2141.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID159715903
Molecular FormulaC106H106Cl8F10N8O11
Molecular Weight2141.66 g/mol
Exact Mass2136.53
IUPAC Name1-[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
SMILESCC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(OC(F)F)cc4n3C)c2Cl)CC1.CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(OC(F)F)cc4n3C)c2Cl)CC1C.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(OC(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
InChIInChI=1S/2C27H28Cl2F2N2O3.C26H24Cl2F4N2O2.C26H26Cl2F2N2O3/c1-14-9-18(36-27(30)31)12-24-21(14)10-17(32(24)4)11-22-23(28)6-5-20(25(22)29)26(35)33-8-7-19(16(3)34)15(2)13-33;1-15-10-19(36-27(30)31)14-24-21(15)12-18(32(24)3)13-22-23(28)5-4-20(25(22)29)26(35)33-8-6-17(7-9-33)11-16(2)34;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;1-14-10-18(35-26(29)30)13-23-20(14)11-17(31(23)3)12-21-22(27)5-4-19(24(21)28)25(34)32-8-6-16(7-9-32)15(2)33/h5-6,9-10,12,15,19,27H,7-8,11,13H2,1-4H3;4-5,10,12,14,17,27H,6-9,11,13H2,1-3H3;4-5,8-9,11,13,17H,6-7,10,12H2,1-3H3;4-5,10-11,13,16,26H,6-9,12H2,1-3H3/t;;13-,17+;/m..0./s1
InChIKeyMZKREDMMKPQXAW-IPJCZPCYSA-N
XLogP26.84
TPSA196.93 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002141.66
LogP ≤ 526.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(OC(F)F)cc4n3C)c2Cl)CC1.CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(OC(F)F)cc4n3C)c2Cl)CC1C.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(OC(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.
What is the InChIKey of 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?
The InChIKey is MZKREDMMKPQXAW-IPJCZPCYSA-N. The full InChI is InChI=1S/2C27H28Cl2F2N2O3.C26H24Cl2F4N2O2.C26H26Cl2F2N2O3/c1-14-9-18(36-27(30)31)12-24-21(14)10-17(32(24)4)11-22-23(28)6-5-20(25(22)29)26(35)33-8-7-19(16(3)34)15(2)13-33;1-15-10-19(36-27(30)31)14-24-21(15)12-18(32(24)3)13-22-23(28)5-4-20(25(22)29)26(35)33-8-6-17(7-9-33)11-16(2)34;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;1-14-10-18(35-26(29)30)13-23-20(14)11-17(31(23)3)12-21-22(27)5-4-19(24(21)28)25(34)32-8-6-16(7-9-32)15(2)33/h5-6,9-10,12,15,19,27H,7-8,11,13H2,1-4H3;4-5,10,12,14,17,27H,6-9,11,13H2,1-3H3;4-5,8-9,11,13,17H,6-7,10,12H2,1-3H3;4-5,10-11,13,16,26H,6-9,12H2,1-3H3/t;;13-,17+;/m..0./s1.
What are the key properties of 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?
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 has a molecular weight of 2141.66 g/mol, XLogP of 26.84, 23 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159715903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).