1-[1-(4-chlorophenyl)-6-(hydroxymethyl)indol-3-yl]-2-piperidin-1-ylethanone;N,N-diethyl-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]propanamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-propan-2-ylacetamide;4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide

C101H114ClN15O8 — CID 167708293

About 1-[1-(4-chlorophenyl)-6-(hydroxymethyl)indol-3-yl]-2-piperidin-1-ylethanone;N,N-diethyl-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]propanamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-propan-2-ylacetamide;4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide

1-[1-(4-chlorophenyl)-6-(hydroxymethyl)indol-3-yl]-2-piperidin-1-ylethanone;N,N-diethyl-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]propanamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-propan-2-ylacetamide;4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide (PubChem CID 167708293) has the molecular formula C101H114ClN15O8 and a molecular weight of 1701.57 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-6-(hydroxymethyl)indol-3-yl]-2-piperidin-1-ylethanone;N,N-diethyl-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]propanamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-propan-2-ylacetamide;4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide.

Molecular Properties

• Compound Name: 1-[1-(4-chlorophenyl)-6-(hydroxymethyl)indol-3-yl]-2-piperidin-1-ylethanone;N,N-diethyl-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]propanamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-propan-2-ylacetamide;4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide
• PubChem CID: 167708293
• Molecular Formula: C101H114ClN15O8
• Molecular Weight: 1701.57 g/mol
• Exact Mass: 1699.87
• IUPAC Name: 1-[1-(4-chlorophenyl)-6-(hydroxymethyl)indol-3-yl]-2-piperidin-1-ylethanone;N,N-diethyl-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]propanamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-propan-2-ylacetamide;4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide
• SMILES: Cc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(C(N)=O)cc1.O=C(CN1CCCCC1)c1cn(-c2ccc(Cl)cc2)c2cc(CO)ccc12.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3nc(CCC(=O)N(CC)CC)ccc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(CC(=O)NC(C)C)cc32)cc1
• InChI: InChI=1S/C29H35N5O2.C27H31N5O2.C23H25N3O2.C22H23ClN2O2/c1-5-33(6-2)27(36)17-13-23-12-16-25-29(31-23)28(26(35)20-32-18-8-7-9-19-32)21(3)34(25)24-14-10-22(30-4)11-15-24;1-18(2)30-25(34)15-20-14-23-27(29-16-20)26(24(33)17-31-12-6-5-7-13-31)19(3)32(23)22-10-8-21(28-4)9-11-22;1-16-22(21(27)15-25-13-5-2-6-14-25)19-7-3-4-8-20(19)26(16)18-11-9-17(10-12-18)23(24)28;23-17-5-7-18(8-6-17)25-13-20(19-9-4-16(15-26)12-21(19)25)22(27)14-24-10-2-1-3-11-24/h10-12,14-16H,5-9,13,17-20H2,1-3H3;8-11,14,16,18H,5-7,12-13,15,17H2,1-3H3,(H,30,34);3-4,7-12H,2,5-6,13-15H2,1H3,(H2,24,28);4-9,12-13,26H,1-3,10-11,14-15H2
• InChIKey: ZLCJLYKTIWXSAQ-UHFFFAOYSA-N
• XLogP: 18.13
• TPSA: 248.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 26
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1701.57
LogP ≤ 5	18.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

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)-6-(hydroxymethyl)indol-3-yl]-2-piperidin-1-ylethanone;N,N-diethyl-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]propanamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-propan-2-ylacetamide;4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide?

The IUPAC name of 1-[1-(4-chlorophenyl)-6-(hydroxymethyl)indol-3-yl]-2-piperidin-1-ylethanone;N,N-diethyl-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]propanamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-propan-2-ylacetamide;4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide (CID 167708293) is 1-[1-(4-chlorophenyl)-6-(hydroxymethyl)indol-3-yl]-2-piperidin-1-ylethanone;N,N-diethyl-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]propanamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-propan-2-ylacetamide;4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide.

What is the SMILES notation for 1-[1-(4-chlorophenyl)-6-(hydroxymethyl)indol-3-yl]-2-piperidin-1-ylethanone;N,N-diethyl-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]propanamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-propan-2-ylacetamide;4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide?

The canonical SMILES for 1-[1-(4-chlorophenyl)-6-(hydroxymethyl)indol-3-yl]-2-piperidin-1-ylethanone;N,N-diethyl-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]propanamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-propan-2-ylacetamide;4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide is Cc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(C(N)=O)cc1.O=C(CN1CCCCC1)c1cn(-c2ccc(Cl)cc2)c2cc(CO)ccc12.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3nc(CCC(=O)N(CC)CC)ccc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(CC(=O)NC(C)C)cc32)cc1.

What is the InChIKey of 1-[1-(4-chlorophenyl)-6-(hydroxymethyl)indol-3-yl]-2-piperidin-1-ylethanone;N,N-diethyl-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]propanamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-propan-2-ylacetamide;4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide?

The InChIKey is ZLCJLYKTIWXSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2.C27H31N5O2.C23H25N3O2.C22H23ClN2O2/c1-5-33(6-2)27(36)17-13-23-12-16-25-29(31-23)28(26(35)20-32-18-8-7-9-19-32)21(3)34(25)24-14-10-22(30-4)11-15-24;1-18(2)30-25(34)15-20-14-23-27(29-16-20)26(24(33)17-31-12-6-5-7-13-31)19(3)32(23)22-10-8-21(28-4)9-11-22;1-16-22(21(27)15-25-13-5-2-6-14-25)19-7-3-4-8-20(19)26(16)18-11-9-17(10-12-18)23(24)28;23-17-5-7-18(8-6-17)25-13-20(19-9-4-16(15-26)12-21(19)25)22(27)14-24-10-2-1-3-11-24/h10-12,14-16H,5-9,13,17-20H2,1-3H3;8-11,14,16,18H,5-7,12-13,15,17H2,1-3H3,(H,30,34);3-4,7-12H,2,5-6,13-15H2,1H3,(H2,24,28);4-9,12-13,26H,1-3,10-11,14-15H2.

What are the key properties of 1-[1-(4-chlorophenyl)-6-(hydroxymethyl)indol-3-yl]-2-piperidin-1-ylethanone;N,N-diethyl-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]propanamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-propan-2-ylacetamide;4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide?

1-[1-(4-chlorophenyl)-6-(hydroxymethyl)indol-3-yl]-2-piperidin-1-ylethanone;N,N-diethyl-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]propanamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-propan-2-ylacetamide;4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide has a molecular weight of 1701.57 g/mol, XLogP of 18.13, 26 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(4-chlorophenyl)-6-(hydroxymethyl)indol-3-yl]-2-piperidin-1-ylethanone;N,N-diethyl-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]propanamide;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-N-propan-2-ylacetamide;4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide is sourced from PubChem (CID 167708293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).