N-[[1-[1-[2-(4-bromophenyl)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);N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;oxalic acid

C119H140BrF3N12O10 — CID 158401215

About N-[[1-[1-[2-(4-bromophenyl)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);N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;oxalic acid

N-[[1-[1-[2-(4-bromophenyl)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);N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;oxalic acid (PubChem CID 158401215) has the molecular formula C119H140BrF3N12O10 and a molecular weight of 2035.40 g/mol. Its IUPAC name is N-[[1-[1-[2-(4-bromophenyl)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);N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;oxalic acid.

Molecular Properties

• Compound Name: N-[[1-[1-[2-(4-bromophenyl)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);N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;oxalic acid
• PubChem CID: 158401215
• Molecular Formula: C119H140BrF3N12O10
• Molecular Weight: 2035.40 g/mol
• Exact Mass: 2033.00
• IUPAC Name: N-[[1-[1-[2-(4-bromophenyl)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);N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;oxalic acid
• SMILES: CC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(Br)cc4)CC3)c2c1.CC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(C(C)O)cc4)CC3)c2c1.CC(O)c1ccc2ccn(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/C26H33N3O2.C24H28BrN3O.C23H27FN2O.2C22H25FN2O.C2H2O4/c1-19(30)23-6-3-21(4-7-23)9-13-28-14-11-25(12-15-28)29-16-10-24-8-5-22(17-26(24)29)18-27-20(2)31;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;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/h3-8,10,16-17,19,25,30H,9,11-15,18H2,1-2H3,(H,27,31);2-7,9,15-16,23H,8,10-14,17H2,1H3,(H,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: PZWHCFPHWUCAGT-UHFFFAOYSA-N
• XLogP: 21.30
• TPSA: 254.57 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 28
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2035.40
LogP ≤ 5	21.30
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

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;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);N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;oxalic acid?

The IUPAC name of N-[[1-[1-[2-(4-bromophenyl)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);N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;oxalic acid (CID 158401215) is N-[[1-[1-[2-(4-bromophenyl)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);N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;oxalic acid.

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

The canonical SMILES for N-[[1-[1-[2-(4-bromophenyl)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);N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;oxalic acid is CC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(Br)cc4)CC3)c2c1.CC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(C(C)O)cc4)CC3)c2c1.CC(O)c1ccc2ccn(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;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);N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;oxalic acid?

The InChIKey is PZWHCFPHWUCAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2.C24H28BrN3O.C23H27FN2O.2C22H25FN2O.C2H2O4/c1-19(30)23-6-3-21(4-7-23)9-13-28-14-11-25(12-15-28)29-16-10-24-8-5-22(17-26(24)29)18-27-20(2)31;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;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/h3-8,10,16-17,19,25,30H,9,11-15,18H2,1-2H3,(H,27,31);2-7,9,15-16,23H,8,10-14,17H2,1H3,(H,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;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);N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;oxalic acid?

N-[[1-[1-[2-(4-bromophenyl)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);N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;oxalic acid has a molecular weight of 2035.40 g/mol, XLogP of 21.30, 28 rotatable bonds, 8 hydrogen bond donors, and 18 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;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);N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;oxalic acid is sourced from PubChem (CID 158401215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).