N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(isocyanomethyl)-2,3-dihydroindole;oxalic acid

C144H188F5N19O11 — CID 158079880

About N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(isocyanomethyl)-2,3-dihydroindole;oxalic acid

N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(isocyanomethyl)-2,3-dihydroindole;oxalic acid (PubChem CID 158079880) has the molecular formula C144H188F5N19O11 and a molecular weight of 2456.20 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(isocyanomethyl)-2,3-dihydroindole;oxalic acid.

Molecular Properties

• Compound Name: N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(isocyanomethyl)-2,3-dihydroindole;oxalic acid
• PubChem CID: 158079880
• Molecular Formula: C144H188F5N19O11
• Molecular Weight: 2456.20 g/mol
• Exact Mass: 2454.47
• IUPAC Name: N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(isocyanomethyl)-2,3-dihydroindole;oxalic acid
• SMILES: CC(=O)N1CCC(CN)CC1.CC(=O)N1CCC(CNC(=O)Cc2ccc3ccn(C4CCN(CCc5ccccc5F)CC4)c3c2)CC1.CCN1CCC(CN)CC1.CCNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.CNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.O=C(O)C(=O)O.OOCCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2.[C-]#[N+]Cc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2
• InChI: InChI=1S/C31H39FN4O2.C25H30FN3O.C24H28FN3O.C23H26FN3.C23H29FN2O2.C8H16N2O.C8H18N2.C2H2O4/c1-23(37)35-17-8-24(9-18-35)22-33-31(38)21-25-6-7-27-11-19-36(30(27)20-25)28-12-15-34(16-13-28)14-10-26-4-2-3-5-29(26)32;1-2-27-25(30)18-19-7-8-21-10-16-29(24(21)17-19)22-11-14-28(15-12-22)13-9-20-5-3-4-6-23(20)26;1-26-24(29)17-18-6-7-20-9-15-28(23(20)16-18)21-10-13-27(14-11-21)12-8-19-4-2-3-5-22(19)25;1-25-17-18-6-7-20-9-15-27(23(20)16-18)21-10-13-26(14-11-21)12-8-19-4-2-3-5-22(19)24;24-22-4-2-1-3-19(22)7-12-25-13-9-21(10-14-25)26-15-8-20-6-5-18(11-16-28-27)17-23(20)26;1-7(11)10-4-2-8(6-9)3-5-10;1-2-10-5-3-8(7-9)4-6-10;3-1(4)2(5)6/h2-7,11,19-20,24,28H,8-10,12-18,21-22H2,1H3,(H,33,38);3-8,10,16-17,22H,2,9,11-15,18H2,1H3,(H,27,30);2-7,9,15-16,21H,8,10-14,17H2,1H3,(H,26,29);2-7,16,21H,8-15,17H2;1-6,17,21,27H,7-16H2;8H,2-6,9H2,1H3;8H,2-7,9H2,1H3;(H,3,4)(H,5,6)
• InChIKey: NLOIAEUTAWMDNN-UHFFFAOYSA-N
• XLogP: 21.14
• TPSA: 329.09 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 36
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2456.20
LogP ≤ 5	21.14
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(isocyanomethyl)-2,3-dihydroindole;oxalic acid?

The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(isocyanomethyl)-2,3-dihydroindole;oxalic acid (CID 158079880) is N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(isocyanomethyl)-2,3-dihydroindole;oxalic acid.

What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(isocyanomethyl)-2,3-dihydroindole;oxalic acid?

The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(isocyanomethyl)-2,3-dihydroindole;oxalic acid is CC(=O)N1CCC(CN)CC1.CC(=O)N1CCC(CNC(=O)Cc2ccc3ccn(C4CCN(CCc5ccccc5F)CC4)c3c2)CC1.CCN1CCC(CN)CC1.CCNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.CNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.O=C(O)C(=O)O.OOCCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2.[C-]#[N+]Cc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2.

What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(isocyanomethyl)-2,3-dihydroindole;oxalic acid?

The InChIKey is NLOIAEUTAWMDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39FN4O2.C25H30FN3O.C24H28FN3O.C23H26FN3.C23H29FN2O2.C8H16N2O.C8H18N2.C2H2O4/c1-23(37)35-17-8-24(9-18-35)22-33-31(38)21-25-6-7-27-11-19-36(30(27)20-25)28-12-15-34(16-13-28)14-10-26-4-2-3-5-29(26)32;1-2-27-25(30)18-19-7-8-21-10-16-29(24(21)17-19)22-11-14-28(15-12-22)13-9-20-5-3-4-6-23(20)26;1-26-24(29)17-18-6-7-20-9-15-28(23(20)16-18)21-10-13-27(14-11-21)12-8-19-4-2-3-5-22(19)25;1-25-17-18-6-7-20-9-15-27(23(20)16-18)21-10-13-26(14-11-21)12-8-19-4-2-3-5-22(19)24;24-22-4-2-1-3-19(22)7-12-25-13-9-21(10-14-25)26-15-8-20-6-5-18(11-16-28-27)17-23(20)26;1-7(11)10-4-2-8(6-9)3-5-10;1-2-10-5-3-8(7-9)4-6-10;3-1(4)2(5)6/h2-7,11,19-20,24,28H,8-10,12-18,21-22H2,1H3,(H,33,38);3-8,10,16-17,22H,2,9,11-15,18H2,1H3,(H,27,30);2-7,9,15-16,21H,8,10-14,17H2,1H3,(H,26,29);2-7,16,21H,8-15,17H2;1-6,17,21,27H,7-16H2;8H,2-6,9H2,1H3;8H,2-7,9H2,1H3;(H,3,4)(H,5,6).

What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(isocyanomethyl)-2,3-dihydroindole;oxalic acid?

N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(isocyanomethyl)-2,3-dihydroindole;oxalic acid has a molecular weight of 2456.20 g/mol, XLogP of 21.14, 36 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(isocyanomethyl)-2,3-dihydroindole;oxalic acid is sourced from PubChem (CID 158079880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).