2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methylindol-3-yl]ethanone;3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;6-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-4-oxohexanal;1-[1-(4-isocyanophenyl)-2-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone

C101H108N16O8 — CID 167648933

About 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methylindol-3-yl]ethanone;3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;6-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-4-oxohexanal;1-[1-(4-isocyanophenyl)-2-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone

2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methylindol-3-yl]ethanone;3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;6-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-4-oxohexanal;1-[1-(4-isocyanophenyl)-2-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone (PubChem CID 167648933) has the molecular formula C101H108N16O8 and a molecular weight of 1674.08 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methylindol-3-yl]ethanone;3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;6-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-4-oxohexanal;1-[1-(4-isocyanophenyl)-2-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone.

Molecular Properties

• Compound Name: 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methylindol-3-yl]ethanone;3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;6-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-4-oxohexanal;1-[1-(4-isocyanophenyl)-2-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone
• PubChem CID: 167648933
• Molecular Formula: C101H108N16O8
• Molecular Weight: 1674.08 g/mol
• Exact Mass: 1672.85
• IUPAC Name: 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methylindol-3-yl]ethanone;3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;6-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-4-oxohexanal;1-[1-(4-isocyanophenyl)-2-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone
• SMILES: [C-]#[N+]c1ccc(-n2c(C(C)C)c(C(=O)CN3CCCCC3)c3ncccc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCC(O)CC3)c3ccccc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3nc(C)c(CCC(N)=O)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(CCC(=O)CCC=O)cc32)cc1
• InChI: InChI=1S/C28H30N4O3.C26H29N5O2.C24H26N4O.C23H23N3O2/c1-20-27(26(35)19-31-14-4-3-5-15-31)28-25(32(20)23-11-9-22(29-2)10-12-23)17-21(18-30-28)8-13-24(34)7-6-16-33;1-17-19(7-12-24(27)33)15-22-26(29-17)25(23(32)16-30-13-5-4-6-14-30)18(2)31(22)21-10-8-20(28-3)9-11-21;1-17(2)24-22(21(29)16-27-14-5-4-6-15-27)23-20(8-7-13-26-23)28(24)19-11-9-18(25-3)10-12-19;1-16-23(22(28)15-25-13-11-19(27)12-14-25)20-5-3-4-6-21(20)26(16)18-9-7-17(24-2)8-10-18/h9-12,16-18H,3-8,13-15,19H2,1H3;8-11,15H,4-7,12-14,16H2,1-2H3,(H2,27,33);7-13,17H,4-6,14-16H2,1-2H3;3-10,19,27H,11-15H2,1H3
• InChIKey: QHFIIVRKJOHFRS-UHFFFAOYSA-N
• XLogP: 18.81
• TPSA: 254.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 26
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1674.08
LogP ≤ 5	18.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methylindol-3-yl]ethanone;3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;6-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-4-oxohexanal;1-[1-(4-isocyanophenyl)-2-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone?

The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methylindol-3-yl]ethanone;3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;6-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-4-oxohexanal;1-[1-(4-isocyanophenyl)-2-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone (CID 167648933) is 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methylindol-3-yl]ethanone;3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;6-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-4-oxohexanal;1-[1-(4-isocyanophenyl)-2-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone.

What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methylindol-3-yl]ethanone;3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;6-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-4-oxohexanal;1-[1-(4-isocyanophenyl)-2-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone?

The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methylindol-3-yl]ethanone;3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;6-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-4-oxohexanal;1-[1-(4-isocyanophenyl)-2-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone is [C-]#[N+]c1ccc(-n2c(C(C)C)c(C(=O)CN3CCCCC3)c3ncccc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCC(O)CC3)c3ccccc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3nc(C)c(CCC(N)=O)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(CCC(=O)CCC=O)cc32)cc1.

What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methylindol-3-yl]ethanone;3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;6-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-4-oxohexanal;1-[1-(4-isocyanophenyl)-2-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone?

The InChIKey is QHFIIVRKJOHFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3.C26H29N5O2.C24H26N4O.C23H23N3O2/c1-20-27(26(35)19-31-14-4-3-5-15-31)28-25(32(20)23-11-9-22(29-2)10-12-23)17-21(18-30-28)8-13-24(34)7-6-16-33;1-17-19(7-12-24(27)33)15-22-26(29-17)25(23(32)16-30-13-5-4-6-14-30)18(2)31(22)21-10-8-20(28-3)9-11-21;1-17(2)24-22(21(29)16-27-14-5-4-6-15-27)23-20(8-7-13-26-23)28(24)19-11-9-18(25-3)10-12-19;1-16-23(22(28)15-25-13-11-19(27)12-14-25)20-5-3-4-6-21(20)26(16)18-9-7-17(24-2)8-10-18/h9-12,16-18H,3-8,13-15,19H2,1H3;8-11,15H,4-7,12-14,16H2,1-2H3,(H2,27,33);7-13,17H,4-6,14-16H2,1-2H3;3-10,19,27H,11-15H2,1H3.

What are the key properties of 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methylindol-3-yl]ethanone;3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;6-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-4-oxohexanal;1-[1-(4-isocyanophenyl)-2-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone?

2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methylindol-3-yl]ethanone;3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;6-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-4-oxohexanal;1-[1-(4-isocyanophenyl)-2-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone has a molecular weight of 1674.08 g/mol, XLogP of 18.81, 26 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methylindol-3-yl]ethanone;3-[1-(4-isocyanophenyl)-2,5-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;6-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-4-oxohexanal;1-[1-(4-isocyanophenyl)-2-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 167648933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).