N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[3-cyano-1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;bis([1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol);[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid

C143H166BrF4N17O11 — CID 158849702

About N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[3-cyano-1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;bis([1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol);[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid

N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[3-cyano-1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;bis([1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol);[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid (PubChem CID 158849702) has the molecular formula C143H166BrF4N17O11 and a molecular weight of 2454.90 g/mol. Its IUPAC name is N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[3-cyano-1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;bis([1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol);[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid.

Molecular Properties

• Compound Name: N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[3-cyano-1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;bis([1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol);[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid
• PubChem CID: 158849702
• Molecular Formula: C143H166BrF4N17O11
• Molecular Weight: 2454.90 g/mol
• Exact Mass: 2452.21
• IUPAC Name: N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[3-cyano-1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;bis([1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol);[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid
• SMILES: CC(=O)NCc1ccc2c(C#N)cn(C3CCN(CCc4ccc(C(C)O)cc4)CC3)c2c1.CC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(Br)cc4)CC3)c2c1.CC(O)c1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.NC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.O=C(O)C(=O)O.OCc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.OCc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1
• InChI: InChI=1S/C27H32N4O2.C24H28BrN3O.C23H27FN4O.C23H27FN2O.2C22H25FN2O.C2H2O4/c1-19(32)23-6-3-21(4-7-23)9-12-30-13-10-25(11-14-30)31-18-24(16-28)26-8-5-22(15-27(26)31)17-29-20(2)33;1-18(29)26-17-20-2-5-21-9-15-28(24(21)16-20)23-10-13-27(14-11-23)12-8-19-3-6-22(25)7-4-19;24-20-5-2-17(3-6-20)7-11-27-12-9-21(10-13-27)28-14-8-19-4-1-18(15-22(19)28)16-26-23(25)29;1-17(27)20-5-4-19-9-15-26(23(19)16-20)22-10-13-25(14-11-22)12-8-18-2-6-21(24)7-3-18;2*23-21-4-2-1-3-18(21)7-11-24-12-9-20(10-13-24)25-14-8-19-6-5-17(16-26)15-22(19)25;3-1(4)2(5)6/h3-8,15,18-19,25,32H,9-14,17H2,1-2H3,(H,29,33);2-7,9,15-16,23H,8,10-14,17H2,1H3,(H,26,29);1-6,8,14-15,21H,7,9-13,16H2,(H3,25,26,29);2-7,9,15-17,22,27H,8,10-14H2,1H3;2*1-6,8,14-15,20,26H,7,9-13,16H2;(H,3,4)(H,5,6)
• InChIKey: VRQBJHBLELLOLS-UHFFFAOYSA-N
• XLogP: 25.00
• TPSA: 341.65 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 34
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2454.90
LogP ≤ 5	25.00
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[3-cyano-1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;bis([1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol);[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid?

The IUPAC name of N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[3-cyano-1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;bis([1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol);[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid (CID 158849702) is N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[3-cyano-1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;bis([1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol);[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid.

What is the SMILES notation for N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[3-cyano-1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;bis([1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol);[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid?

The canonical SMILES for N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[3-cyano-1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;bis([1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol);[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid is CC(=O)NCc1ccc2c(C#N)cn(C3CCN(CCc4ccc(C(C)O)cc4)CC3)c2c1.CC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(Br)cc4)CC3)c2c1.CC(O)c1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.NC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.O=C(O)C(=O)O.OCc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.OCc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.

What is the InChIKey of N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[3-cyano-1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;bis([1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol);[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid?

The InChIKey is VRQBJHBLELLOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2.C24H28BrN3O.C23H27FN4O.C23H27FN2O.2C22H25FN2O.C2H2O4/c1-19(32)23-6-3-21(4-7-23)9-12-30-13-10-25(11-14-30)31-18-24(16-28)26-8-5-22(15-27(26)31)17-29-20(2)33;1-18(29)26-17-20-2-5-21-9-15-28(24(21)16-20)23-10-13-27(14-11-23)12-8-19-3-6-22(25)7-4-19;24-20-5-2-17(3-6-20)7-11-27-12-9-21(10-13-27)28-14-8-19-4-1-18(15-22(19)28)16-26-23(25)29;1-17(27)20-5-4-19-9-15-26(23(19)16-20)22-10-13-25(14-11-22)12-8-18-2-6-21(24)7-3-18;2*23-21-4-2-1-3-18(21)7-11-24-12-9-20(10-13-24)25-14-8-19-6-5-17(16-26)15-22(19)25;3-1(4)2(5)6/h3-8,15,18-19,25,32H,9-14,17H2,1-2H3,(H,29,33);2-7,9,15-16,23H,8,10-14,17H2,1H3,(H,26,29);1-6,8,14-15,21H,7,9-13,16H2,(H3,25,26,29);2-7,9,15-17,22,27H,8,10-14H2,1H3;2*1-6,8,14-15,20,26H,7,9-13,16H2;(H,3,4)(H,5,6).

What are the key properties of N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[3-cyano-1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;bis([1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol);[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid?

N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[3-cyano-1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;bis([1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol);[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid has a molecular weight of 2454.90 g/mol, XLogP of 25.00, 34 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[3-cyano-1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;bis([1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol);[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid is sourced from PubChem (CID 158849702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).