1-[1-(4-chlorophenyl)-2-methoxyindol-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]propanoate;3-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]-1,3-oxazolidin-2-one;1-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]pyrrolidin-2-one;methane

C107H126ClN15O10 — CID 167532994

About 1-[1-(4-chlorophenyl)-2-methoxyindol-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]propanoate;3-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]-1,3-oxazolidin-2-one;1-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]pyrrolidin-2-one;methane

1-[1-(4-chlorophenyl)-2-methoxyindol-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]propanoate;3-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]-1,3-oxazolidin-2-one;1-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]pyrrolidin-2-one;methane (PubChem CID 167532994) has the molecular formula C107H126ClN15O10 and a molecular weight of 1817.73 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-2-methoxyindol-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]propanoate;3-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]-1,3-oxazolidin-2-one;1-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]pyrrolidin-2-one;methane.

Molecular Properties

• Compound Name: 1-[1-(4-chlorophenyl)-2-methoxyindol-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]propanoate;3-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]-1,3-oxazolidin-2-one;1-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]pyrrolidin-2-one;methane
• PubChem CID: 167532994
• Molecular Formula: C107H126ClN15O10
• Molecular Weight: 1817.73 g/mol
• Exact Mass: 1815.95
• IUPAC Name: 1-[1-(4-chlorophenyl)-2-methoxyindol-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]propanoate;3-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]-1,3-oxazolidin-2-one;1-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]pyrrolidin-2-one;methane
• SMILES: C.C.C.C.COc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(Cl)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ccc(CCC(=O)OCC)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(CN4CCCC4=O)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(CN4CCOC4=O)cc32)cc1
• InChI: InChI=1S/C28H31N3O3.C27H29N5O2.C26H27N5O3.C22H23ClN2O2.4CH4/c1-4-34-27(33)15-9-21-8-14-24-25(18-21)31(23-12-10-22(29-3)11-13-23)20(2)28(24)26(32)19-30-16-6-5-7-17-30;1-19-26(24(33)18-30-12-4-3-5-13-30)27-23(32(19)22-10-8-21(28-2)9-11-22)15-20(16-29-27)17-31-14-6-7-25(31)34;1-18-24(23(32)17-29-10-4-3-5-11-29)25-22(31(18)21-8-6-20(27-2)7-9-21)14-19(15-28-25)16-30-12-13-34-26(30)33;1-27-22-21(20(26)15-24-13-5-2-6-14-24)18-7-3-4-8-19(18)25(22)17-11-9-16(23)10-12-17;;;;/h8,10-14,18H,4-7,9,15-17,19H2,1-2H3;8-11,15-16H,3-7,12-14,17-18H2,1H3;6-9,14-15H,3-5,10-13,16-17H2,1H3;3-4,7-12H,2,5-6,13-15H2,1H3;4*1H4
• InChIKey: AFJNOPMATZOMIS-UHFFFAOYSA-N
• XLogP: 22.34
• TPSA: 225.20 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1817.73
LogP ≤ 5	22.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-2-methoxyindol-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]propanoate;3-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]-1,3-oxazolidin-2-one;1-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]pyrrolidin-2-one;methane?

The IUPAC name of 1-[1-(4-chlorophenyl)-2-methoxyindol-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]propanoate;3-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]-1,3-oxazolidin-2-one;1-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]pyrrolidin-2-one;methane (CID 167532994) is 1-[1-(4-chlorophenyl)-2-methoxyindol-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]propanoate;3-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]-1,3-oxazolidin-2-one;1-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]pyrrolidin-2-one;methane.

What is the SMILES notation for 1-[1-(4-chlorophenyl)-2-methoxyindol-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]propanoate;3-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]-1,3-oxazolidin-2-one;1-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]pyrrolidin-2-one;methane?

The canonical SMILES for 1-[1-(4-chlorophenyl)-2-methoxyindol-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]propanoate;3-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]-1,3-oxazolidin-2-one;1-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]pyrrolidin-2-one;methane is C.C.C.C.COc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(Cl)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ccc(CCC(=O)OCC)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(CN4CCCC4=O)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(CN4CCOC4=O)cc32)cc1.

What is the InChIKey of 1-[1-(4-chlorophenyl)-2-methoxyindol-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]propanoate;3-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]-1,3-oxazolidin-2-one;1-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]pyrrolidin-2-one;methane?

The InChIKey is AFJNOPMATZOMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3.C27H29N5O2.C26H27N5O3.C22H23ClN2O2.4CH4/c1-4-34-27(33)15-9-21-8-14-24-25(18-21)31(23-12-10-22(29-3)11-13-23)20(2)28(24)26(32)19-30-16-6-5-7-17-30;1-19-26(24(33)18-30-12-4-3-5-13-30)27-23(32(19)22-10-8-21(28-2)9-11-22)15-20(16-29-27)17-31-14-6-7-25(31)34;1-18-24(23(32)17-29-10-4-3-5-11-29)25-22(31(18)21-8-6-20(27-2)7-9-21)14-19(15-28-25)16-30-12-13-34-26(30)33;1-27-22-21(20(26)15-24-13-5-2-6-14-24)18-7-3-4-8-19(18)25(22)17-11-9-16(23)10-12-17;;;;/h8,10-14,18H,4-7,9,15-17,19H2,1-2H3;8-11,15-16H,3-7,12-14,17-18H2,1H3;6-9,14-15H,3-5,10-13,16-17H2,1H3;3-4,7-12H,2,5-6,13-15H2,1H3;4*1H4.

What are the key properties of 1-[1-(4-chlorophenyl)-2-methoxyindol-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]propanoate;3-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]-1,3-oxazolidin-2-one;1-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]pyrrolidin-2-one;methane?

1-[1-(4-chlorophenyl)-2-methoxyindol-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]propanoate;3-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]-1,3-oxazolidin-2-one;1-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]pyrrolidin-2-one;methane has a molecular weight of 1817.73 g/mol, XLogP of 22.34, 25 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(4-chlorophenyl)-2-methoxyindol-3-yl]-2-piperidin-1-ylethanone;ethyl 3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]propanoate;3-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]-1,3-oxazolidin-2-one;1-[[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]methyl]pyrrolidin-2-one;methane is sourced from PubChem (CID 167532994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).