N-(2-amino-2-oxoethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-[2-(dimethylamino)ethyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-(2-fluoroethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;4-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]but-3-en-2-one;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(isocyanomethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide;oxalic acid

C157H183F7N20O16 — CID 158537553

About N-(2-amino-2-oxoethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-[2-(dimethylamino)ethyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-(2-fluoroethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;4-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]but-3-en-2-one;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(isocyanomethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide;oxalic acid

N-(2-amino-2-oxoethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-[2-(dimethylamino)ethyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-(2-fluoroethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;4-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]but-3-en-2-one;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(isocyanomethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide;oxalic acid (PubChem CID 158537553) has the molecular formula C157H183F7N20O16 and a molecular weight of 2739.30 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-[2-(dimethylamino)ethyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-(2-fluoroethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;4-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]but-3-en-2-one;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(isocyanomethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide;oxalic acid.

Molecular Properties

• Compound Name: N-(2-amino-2-oxoethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-[2-(dimethylamino)ethyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-(2-fluoroethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;4-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]but-3-en-2-one;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(isocyanomethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide;oxalic acid
• PubChem CID: 158537553
• Molecular Formula: C157H183F7N20O16
• Molecular Weight: 2739.30 g/mol
• Exact Mass: 2737.40
• IUPAC Name: N-(2-amino-2-oxoethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-[2-(dimethylamino)ethyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-(2-fluoroethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;4-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]but-3-en-2-one;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(isocyanomethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide;oxalic acid
• SMILES: CC(=O)C=Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.CN(C)CCNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.COCCNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.NC(=O)CNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCCF.O=C(O)C(=O)O.O=C(O)C(=O)O.[C-]#[N+]CNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1
• InChI: InChI=1S/C27H35FN4O.C26H32FN3O2.C25H29F2N3O.C25H29FN4O2.C25H27FN4O.C25H27FN2O.2C2H2O4/c1-30(2)18-13-29-27(33)20-22-3-6-23-10-17-32(26(23)19-22)25-11-15-31(16-12-25)14-9-21-4-7-24(28)8-5-21;1-32-17-12-28-26(31)19-21-2-5-22-9-16-30(25(22)18-21)24-10-14-29(15-11-24)13-8-20-3-6-23(27)7-4-20;26-11-12-28-25(31)18-20-1-4-21-8-16-30(24(21)17-20)23-9-14-29(15-10-23)13-7-19-2-5-22(27)6-3-19;26-21-5-2-18(3-6-21)7-11-29-12-9-22(10-13-29)30-14-8-20-4-1-19(15-23(20)30)16-25(32)28-17-24(27)31;1-27-18-28-25(31)17-20-2-5-21-9-15-30(24(21)16-20)23-10-13-29(14-11-23)12-8-19-3-6-22(26)7-4-19;1-19(29)2-3-21-4-7-22-11-17-28(25(22)18-21)24-12-15-27(16-13-24)14-10-20-5-8-23(26)9-6-20;2*3-1(4)2(5)6/h3-8,10,17,19,25H,9,11-16,18,20H2,1-2H3,(H,29,33);2-7,9,16,18,24H,8,10-15,17,19H2,1H3,(H,28,31);1-6,8,16-17,23H,7,9-15,18H2,(H,28,31);1-6,8,14-15,22H,7,9-13,16-17H2,(H2,27,31)(H,28,32);2-7,9,15-16,23H,8,10-14,17-18H2,(H,28,31);2-9,11,17-18,24H,10,12-16H2,1H3;2*(H,3,4)(H,5,6)
• InChIKey: WUSKMGBVTIORSR-UHFFFAOYSA-N
• XLogP: 22.71
• TPSA: 420.71 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 47
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2739.30
LogP ≤ 5	22.71
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-[2-(dimethylamino)ethyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-(2-fluoroethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;4-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]but-3-en-2-one;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(isocyanomethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide;oxalic acid?

The IUPAC name of N-(2-amino-2-oxoethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-[2-(dimethylamino)ethyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-(2-fluoroethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;4-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]but-3-en-2-one;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(isocyanomethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide;oxalic acid (CID 158537553) is N-(2-amino-2-oxoethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-[2-(dimethylamino)ethyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-(2-fluoroethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;4-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]but-3-en-2-one;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(isocyanomethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide;oxalic acid.

What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-[2-(dimethylamino)ethyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-(2-fluoroethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;4-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]but-3-en-2-one;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(isocyanomethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide;oxalic acid?

The canonical SMILES for N-(2-amino-2-oxoethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-[2-(dimethylamino)ethyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-(2-fluoroethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;4-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]but-3-en-2-one;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(isocyanomethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide;oxalic acid is CC(=O)C=Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.CN(C)CCNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.COCCNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.NC(=O)CNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCCF.O=C(O)C(=O)O.O=C(O)C(=O)O.[C-]#[N+]CNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.

What is the InChIKey of N-(2-amino-2-oxoethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-[2-(dimethylamino)ethyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-(2-fluoroethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;4-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]but-3-en-2-one;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(isocyanomethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide;oxalic acid?

The InChIKey is WUSKMGBVTIORSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4O.C26H32FN3O2.C25H29F2N3O.C25H29FN4O2.C25H27FN4O.C25H27FN2O.2C2H2O4/c1-30(2)18-13-29-27(33)20-22-3-6-23-10-17-32(26(23)19-22)25-11-15-31(16-12-25)14-9-21-4-7-24(28)8-5-21;1-32-17-12-28-26(31)19-21-2-5-22-9-16-30(25(22)18-21)24-10-14-29(15-11-24)13-8-20-3-6-23(27)7-4-20;26-11-12-28-25(31)18-20-1-4-21-8-16-30(24(21)17-20)23-9-14-29(15-10-23)13-7-19-2-5-22(27)6-3-19;26-21-5-2-18(3-6-21)7-11-29-12-9-22(10-13-29)30-14-8-20-4-1-19(15-23(20)30)16-25(32)28-17-24(27)31;1-27-18-28-25(31)17-20-2-5-21-9-15-30(24(21)16-20)23-10-13-29(14-11-23)12-8-19-3-6-22(26)7-4-19;1-19(29)2-3-21-4-7-22-11-17-28(25(22)18-21)24-12-15-27(16-13-24)14-10-20-5-8-23(26)9-6-20;2*3-1(4)2(5)6/h3-8,10,17,19,25H,9,11-16,18,20H2,1-2H3,(H,29,33);2-7,9,16,18,24H,8,10-15,17,19H2,1H3,(H,28,31);1-6,8,16-17,23H,7,9-15,18H2,(H,28,31);1-6,8,14-15,22H,7,9-13,16-17H2,(H2,27,31)(H,28,32);2-7,9,15-16,23H,8,10-14,17-18H2,(H,28,31);2-9,11,17-18,24H,10,12-16H2,1H3;2*(H,3,4)(H,5,6).

What are the key properties of N-(2-amino-2-oxoethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-[2-(dimethylamino)ethyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-(2-fluoroethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;4-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]but-3-en-2-one;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(isocyanomethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide;oxalic acid?

N-(2-amino-2-oxoethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-[2-(dimethylamino)ethyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-(2-fluoroethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;4-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]but-3-en-2-one;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(isocyanomethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide;oxalic acid has a molecular weight of 2739.30 g/mol, XLogP of 22.71, 47 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-2-oxoethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-[2-(dimethylamino)ethyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-(2-fluoroethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;4-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]but-3-en-2-one;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(isocyanomethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide;oxalic acid is sourced from PubChem (CID 158537553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).