[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[7-methoxy-1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone

C157H189F3N14O14S — CID 160629614

About [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[7-methoxy-1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone

[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[7-methoxy-1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone (PubChem CID 160629614) has the molecular formula C157H189F3N14O14S and a molecular weight of 2585.38 g/mol. Its IUPAC name is [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[7-methoxy-1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[7-methoxy-1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
• PubChem CID: 160629614
• Molecular Formula: C157H189F3N14O14S
• Molecular Weight: 2585.38 g/mol
• Exact Mass: 2583.42
• IUPAC Name: [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[7-methoxy-1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
• SMILES: CCCOC1CCN(CC(C)Cn2cc(C(C)=O)c3ccccc32)CC1.COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC(c4nc5ccccc5s4)CC3)c12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCC(C(=O)c4ccccc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(CC4CCCO4)CC3)c12.COc1ccccc1C1CCN(CCCn2cc(C(=O)CC(C)C)c3ccccc32)CC1.O=C(c1ccccc1)C1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1
• InChI: InChI=1S/C31H32N2O3.C28H31N3O2S.C28H36N2O2.C25H25F3N2O2.C23H33N3O3.C22H32N2O2/c1-36-28-15-8-14-26-27(31(35)24-12-6-3-7-13-24)22-33(29(26)28)19-9-18-32-20-16-25(17-21-32)30(34)23-10-4-2-5-11-23;1-33-24-8-4-6-21-22(27(32)19-10-11-19)18-31(26(21)24)15-5-14-30-16-12-20(13-17-30)28-29-23-7-2-3-9-25(23)34-28;1-21(2)19-27(31)25-20-30(26-11-6-4-10-24(25)26)16-8-15-29-17-13-22(14-18-29)23-9-5-7-12-28(23)32-3;26-25(27,28)24(32)21-17-30(22-10-5-4-9-20(21)22)14-6-13-29-15-11-19(12-16-29)23(31)18-7-2-1-3-8-18;1-18(27)21-17-26(23-20(21)7-3-8-22(23)28-2)10-5-9-24-11-13-25(14-12-24)16-19-6-4-15-29-19;1-4-13-26-19-9-11-23(12-10-19)14-17(2)15-24-16-21(18(3)25)20-7-5-6-8-22(20)24/h2-8,10-15,22,25H,9,16-21H2,1H3;2-4,6-9,18-20H,5,10-17H2,1H3;4-7,9-12,20-22H,8,13-19H2,1-3H3;1-5,7-10,17,19H,6,11-16H2;3,7-8,17,19H,4-6,9-16H2,1-2H3;5-8,16-17,19H,4,9-15H2,1-3H3
• InChIKey: RHTGGTSQSNRKGP-UHFFFAOYSA-N
• XLogP: 30.92
• TPSA: 257.09 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 49
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2585.38
LogP ≤ 5	30.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[7-methoxy-1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?

The IUPAC name of [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[7-methoxy-1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone (CID 160629614) is [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[7-methoxy-1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone.

What is the SMILES notation for [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[7-methoxy-1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?

The canonical SMILES for [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[7-methoxy-1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone is CCCOC1CCN(CC(C)Cn2cc(C(C)=O)c3ccccc32)CC1.COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC(c4nc5ccccc5s4)CC3)c12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCC(C(=O)c4ccccc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(CC4CCCO4)CC3)c12.COc1ccccc1C1CCN(CCCn2cc(C(=O)CC(C)C)c3ccccc32)CC1.O=C(c1ccccc1)C1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1.

What is the InChIKey of [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[7-methoxy-1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?

The InChIKey is RHTGGTSQSNRKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O3.C28H31N3O2S.C28H36N2O2.C25H25F3N2O2.C23H33N3O3.C22H32N2O2/c1-36-28-15-8-14-26-27(31(35)24-12-6-3-7-13-24)22-33(29(26)28)19-9-18-32-20-16-25(17-21-32)30(34)23-10-4-2-5-11-23;1-33-24-8-4-6-21-22(27(32)19-10-11-19)18-31(26(21)24)15-5-14-30-16-12-20(13-17-30)28-29-23-7-2-3-9-25(23)34-28;1-21(2)19-27(31)25-20-30(26-11-6-4-10-24(25)26)16-8-15-29-17-13-22(14-18-29)23-9-5-7-12-28(23)32-3;26-25(27,28)24(32)21-17-30(22-10-5-4-9-20(21)22)14-6-13-29-15-11-19(12-16-29)23(31)18-7-2-1-3-8-18;1-18(27)21-17-26(23-20(21)7-3-8-22(23)28-2)10-5-9-24-11-13-25(14-12-24)16-19-6-4-15-29-19;1-4-13-26-19-9-11-23(12-10-19)14-17(2)15-24-16-21(18(3)25)20-7-5-6-8-22(20)24/h2-8,10-15,22,25H,9,16-21H2,1H3;2-4,6-9,18-20H,5,10-17H2,1H3;4-7,9-12,20-22H,8,13-19H2,1-3H3;1-5,7-10,17,19H,6,11-16H2;3,7-8,17,19H,4-6,9-16H2,1-2H3;5-8,16-17,19H,4,9-15H2,1-3H3.

What are the key properties of [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[7-methoxy-1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?

[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[7-methoxy-1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone has a molecular weight of 2585.38 g/mol, XLogP of 30.92, 49 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[7-methoxy-1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone is sourced from PubChem (CID 160629614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).