[1-(4-chlorophenyl)-3-(2-piperidin-1-ylacetyl)indol-6-yl]methyl acetate;N-(3-hydroxypropyl)-2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methylacetamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-N-propan-2-ylacetamide;1-[1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone

C102H113ClN16O9 — CID 167673421

About [1-(4-chlorophenyl)-3-(2-piperidin-1-ylacetyl)indol-6-yl]methyl acetate;N-(3-hydroxypropyl)-2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methylacetamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-N-propan-2-ylacetamide;1-[1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone

[1-(4-chlorophenyl)-3-(2-piperidin-1-ylacetyl)indol-6-yl]methyl acetate;N-(3-hydroxypropyl)-2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methylacetamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-N-propan-2-ylacetamide;1-[1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone (PubChem CID 167673421) has the molecular formula C102H113ClN16O9 and a molecular weight of 1742.58 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-(2-piperidin-1-ylacetyl)indol-6-yl]methyl acetate;N-(3-hydroxypropyl)-2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methylacetamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-N-propan-2-ylacetamide;1-[1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone.

Molecular Properties

• Compound Name: [1-(4-chlorophenyl)-3-(2-piperidin-1-ylacetyl)indol-6-yl]methyl acetate;N-(3-hydroxypropyl)-2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methylacetamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-N-propan-2-ylacetamide;1-[1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone
• PubChem CID: 167673421
• Molecular Formula: C102H113ClN16O9
• Molecular Weight: 1742.58 g/mol
• Exact Mass: 1740.86
• IUPAC Name: [1-(4-chlorophenyl)-3-(2-piperidin-1-ylacetyl)indol-6-yl]methyl acetate;N-(3-hydroxypropyl)-2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methylacetamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-N-propan-2-ylacetamide;1-[1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone
• SMILES: CC(=O)OCc1ccc2c(C(=O)CN3CCCCC3)cn(-c3ccc(Cl)cc3)c2c1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(CC(=O)N(C)C(C)C)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(CC(=O)N(C)CCCO)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncccc32)cc1
• InChI: InChI=1S/C28H33N5O3.C28H33N5O2.C24H25ClN2O3.C22H22N4O/c1-20-27(25(35)19-32-13-5-4-6-14-32)28-24(33(20)23-10-8-22(29-2)9-11-23)16-21(18-30-28)17-26(36)31(3)12-7-15-34;1-19(2)31(5)26(35)16-21-15-24-28(30-17-21)27(25(34)18-32-13-7-6-8-14-32)20(3)33(24)23-11-9-22(29-4)10-12-23;1-17(28)30-16-18-5-10-21-22(24(29)15-26-11-3-2-4-12-26)14-27(23(21)13-18)20-8-6-19(25)7-9-20;1-16-21(20(27)15-25-13-4-3-5-14-25)22-19(7-6-12-24-22)26(16)18-10-8-17(23-2)9-11-18/h8-11,16,18,34H,4-7,12-15,17,19H2,1,3H3;9-12,15,17,19H,6-8,13-14,16,18H2,1-3,5H3;5-10,13-14H,2-4,11-12,15-16H2,1H3;6-12H,3-5,13-15H2,1H3
• InChIKey: ULQUSLUEUKAMOR-UHFFFAOYSA-N
• XLogP: 18.47
• TPSA: 239.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1742.58
LogP ≤ 5	18.47
H-Bond Donors ≤ 5	1
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-(4-chlorophenyl)-3-(2-piperidin-1-ylacetyl)indol-6-yl]methyl acetate;N-(3-hydroxypropyl)-2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methylacetamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-N-propan-2-ylacetamide;1-[1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone?

The IUPAC name of [1-(4-chlorophenyl)-3-(2-piperidin-1-ylacetyl)indol-6-yl]methyl acetate;N-(3-hydroxypropyl)-2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methylacetamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-N-propan-2-ylacetamide;1-[1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone (CID 167673421) is [1-(4-chlorophenyl)-3-(2-piperidin-1-ylacetyl)indol-6-yl]methyl acetate;N-(3-hydroxypropyl)-2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methylacetamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-N-propan-2-ylacetamide;1-[1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone.

What is the SMILES notation for [1-(4-chlorophenyl)-3-(2-piperidin-1-ylacetyl)indol-6-yl]methyl acetate;N-(3-hydroxypropyl)-2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methylacetamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-N-propan-2-ylacetamide;1-[1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone?

The canonical SMILES for [1-(4-chlorophenyl)-3-(2-piperidin-1-ylacetyl)indol-6-yl]methyl acetate;N-(3-hydroxypropyl)-2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methylacetamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-N-propan-2-ylacetamide;1-[1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone is CC(=O)OCc1ccc2c(C(=O)CN3CCCCC3)cn(-c3ccc(Cl)cc3)c2c1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(CC(=O)N(C)C(C)C)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(CC(=O)N(C)CCCO)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncccc32)cc1.

What is the InChIKey of [1-(4-chlorophenyl)-3-(2-piperidin-1-ylacetyl)indol-6-yl]methyl acetate;N-(3-hydroxypropyl)-2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methylacetamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-N-propan-2-ylacetamide;1-[1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone?

The InChIKey is ULQUSLUEUKAMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3.C28H33N5O2.C24H25ClN2O3.C22H22N4O/c1-20-27(25(35)19-32-13-5-4-6-14-32)28-24(33(20)23-10-8-22(29-2)9-11-23)16-21(18-30-28)17-26(36)31(3)12-7-15-34;1-19(2)31(5)26(35)16-21-15-24-28(30-17-21)27(25(34)18-32-13-7-6-8-14-32)20(3)33(24)23-11-9-22(29-4)10-12-23;1-17(28)30-16-18-5-10-21-22(24(29)15-26-11-3-2-4-12-26)14-27(23(21)13-18)20-8-6-19(25)7-9-20;1-16-21(20(27)15-25-13-4-3-5-14-25)22-19(7-6-12-24-22)26(16)18-10-8-17(23-2)9-11-18/h8-11,16,18,34H,4-7,12-15,17,19H2,1,3H3;9-12,15,17,19H,6-8,13-14,16,18H2,1-3,5H3;5-10,13-14H,2-4,11-12,15-16H2,1H3;6-12H,3-5,13-15H2,1H3.

What are the key properties of [1-(4-chlorophenyl)-3-(2-piperidin-1-ylacetyl)indol-6-yl]methyl acetate;N-(3-hydroxypropyl)-2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methylacetamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-N-propan-2-ylacetamide;1-[1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone?

[1-(4-chlorophenyl)-3-(2-piperidin-1-ylacetyl)indol-6-yl]methyl acetate;N-(3-hydroxypropyl)-2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methylacetamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-N-propan-2-ylacetamide;1-[1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone has a molecular weight of 1742.58 g/mol, XLogP of 18.47, 26 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(4-chlorophenyl)-3-(2-piperidin-1-ylacetyl)indol-6-yl]methyl acetate;N-(3-hydroxypropyl)-2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methylacetamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-N-propan-2-ylacetamide;1-[1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 167673421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).