1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone

C100H114Cl4F6N12O8 — CID 160895395

IUPAC1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c2c(C)cccc12.CCc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4cccc(Cl)c4)CC3)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3CCC(Oc4cccc(Cl)c4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c12
InChIInChI=1S/C26H31ClN2O3.C26H31ClN2O2.C24H26ClF3N4O2.C24H26ClF3N4O/c1-18(15-28-12-10-21(11-13-28)32-22-7-4-6-20(27)14-22)16-29-17-24(19(2)30)23-8-5-9-25(31-3)26(23)29;1-3-20-7-4-10-24-25(19(2)30)18-29(26(20)24)14-6-13-28-15-11-22(12-16-28)31-23-9-5-8-21(27)17-23;1-16(33)19-15-32(22-18(19)5-3-6-21(22)34-2)8-4-7-30-9-11-31(12-10-30)23-20(25)13-17(14-29-23)24(26,27)28;1-16-5-3-6-19-20(17(2)33)15-32(22(16)19)8-4-7-30-9-11-31(12-10-30)23-21(25)13-18(14-29-23)24(26,27)28/h4-9,14,17-18,21H,10-13,15-16H2,1-3H3;4-5,7-10,17-18,22H,3,6,11-16H2,1-2H3;3,5-6,13-15H,4,7-12H2,1-2H3;3,5-6,13-15H,4,7-12H2,1-2H3
InChIKeySOUPPRUCKKKUJU-UHFFFAOYSA-N
MW1867.89 g/mol
LogP22.24
Rot. Bonds29

About 1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone

1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone (PubChem CID 160895395) has the molecular formula C100H114Cl4F6N12O8 and a molecular weight of 1867.89 g/mol. Its IUPAC name is 1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone
PubChem CID160895395
Molecular FormulaC100H114Cl4F6N12O8
Molecular Weight1867.89 g/mol
Exact Mass1864.75
IUPAC Name1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c2c(C)cccc12.CCc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4cccc(Cl)c4)CC3)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3CCC(Oc4cccc(Cl)c4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c12
InChIInChI=1S/C26H31ClN2O3.C26H31ClN2O2.C24H26ClF3N4O2.C24H26ClF3N4O/c1-18(15-28-12-10-21(11-13-28)32-22-7-4-6-20(27)14-22)16-29-17-24(19(2)30)23-8-5-9-25(31-3)26(23)29;1-3-20-7-4-10-24-25(19(2)30)18-29(26(20)24)14-6-13-28-15-11-22(12-16-28)31-23-9-5-8-21(27)17-23;1-16(33)19-15-32(22-18(19)5-3-6-21(22)34-2)8-4-7-30-9-11-31(12-10-30)23-20(25)13-17(14-29-23)24(26,27)28;1-16-5-3-6-19-20(17(2)33)15-32(22(16)19)8-4-7-30-9-11-31(12-10-30)23-21(25)13-18(14-29-23)24(26,27)28/h4-9,14,17-18,21H,10-13,15-16H2,1-3H3;4-5,7-10,17-18,22H,3,6,11-16H2,1-2H3;3,5-6,13-15H,4,7-12H2,1-2H3;3,5-6,13-15H,4,7-12H2,1-2H3
InChIKeySOUPPRUCKKKUJU-UHFFFAOYSA-N
XLogP22.24
TPSA170.14 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001867.89
LogP ≤ 522.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone?
The IUPAC name of 1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone (CID 160895395) is 1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone is CC(=O)c1cn(CCCN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c2c(C)cccc12.CCc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4cccc(Cl)c4)CC3)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3CCC(Oc4cccc(Cl)c4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c12.
What is the InChIKey of 1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone?
The InChIKey is SOUPPRUCKKKUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN2O3.C26H31ClN2O2.C24H26ClF3N4O2.C24H26ClF3N4O/c1-18(15-28-12-10-21(11-13-28)32-22-7-4-6-20(27)14-22)16-29-17-24(19(2)30)23-8-5-9-25(31-3)26(23)29;1-3-20-7-4-10-24-25(19(2)30)18-29(26(20)24)14-6-13-28-15-11-22(12-16-28)31-23-9-5-8-21(27)17-23;1-16(33)19-15-32(22-18(19)5-3-6-21(22)34-2)8-4-7-30-9-11-31(12-10-30)23-20(25)13-17(14-29-23)24(26,27)28;1-16-5-3-6-19-20(17(2)33)15-32(22(16)19)8-4-7-30-9-11-31(12-10-30)23-21(25)13-18(14-29-23)24(26,27)28/h4-9,14,17-18,21H,10-13,15-16H2,1-3H3;4-5,7-10,17-18,22H,3,6,11-16H2,1-2H3;3,5-6,13-15H,4,7-12H2,1-2H3;3,5-6,13-15H,4,7-12H2,1-2H3.
What are the key properties of 1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone?
1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone has a molecular weight of 1867.89 g/mol, XLogP of 22.24, 29 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methylindol-3-yl]ethanone is sourced from PubChem (CID 160895395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).