N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol;1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-methylthiourea;[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid

C140H161BrF5N17O9S — CID 161036199

IUPACN-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol;1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-methylthiourea;[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid
SMILESCC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(Br)cc4)CC3)c2c1.CC(O)c1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.CNC(=S)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.NC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.O=C(O)C(=O)O.O=Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.OCc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1
InChIInChI=1S/C24H28BrN3O.C24H29FN4S.C23H27FN4O.C23H27FN2O.C22H25FN2O.C22H23FN2O.C2H2O4/c1-18(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;1-26-24(30)27-17-19-2-5-20-9-15-29(23(20)16-19)22-10-13-28(14-11-22)12-8-18-3-6-21(25)7-4-18;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/h2-7,9,15-16,23H,8,10-14,17H2,1H3,(H,26,29);2-7,9,15-16,22H,8,10-14,17H2,1H3,(H2,26,27,30);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;1-6,8,14-15,20,26H,7,9-13,16H2;1-6,8,14-16,20H,7,9-13H2;(H,3,4)(H,5,6)
InChIKeyCHZPRAAQYNJASK-UHFFFAOYSA-N
MW2432.90 g/mol
LogP25.50
Rot. Bonds33

About N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol;1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-methylthiourea;[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;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol;1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-methylthiourea;[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid (PubChem CID 161036199) has the molecular formula C140H161BrF5N17O9S and a molecular weight of 2432.90 g/mol. Its IUPAC name is N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol;1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-methylthiourea;[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid.

Molecular Properties

Compound NameN-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol;1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-methylthiourea;[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid
PubChem CID161036199
Molecular FormulaC140H161BrF5N17O9S
Molecular Weight2432.90 g/mol
Exact Mass2430.15
IUPAC NameN-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol;1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-methylthiourea;[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid
SMILESCC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(Br)cc4)CC3)c2c1.CC(O)c1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.CNC(=S)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.NC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.O=C(O)C(=O)O.O=Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.OCc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1
InChIInChI=1S/C24H28BrN3O.C24H29FN4S.C23H27FN4O.C23H27FN2O.C22H25FN2O.C22H23FN2O.C2H2O4/c1-18(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;1-26-24(30)27-17-19-2-5-20-9-15-29(23(20)16-19)22-10-13-28(14-11-22)12-8-18-3-6-21(25)7-4-18;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/h2-7,9,15-16,23H,8,10-14,17H2,1H3,(H,26,29);2-7,9,15-16,22H,8,10-14,17H2,1H3,(H2,26,27,30);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;1-6,8,14-15,20,26H,7,9-13,16H2;1-6,8,14-16,20H,7,9-13H2;(H,3,4)(H,5,6)
InChIKeyCHZPRAAQYNJASK-UHFFFAOYSA-N
XLogP25.50
TPSA289.43 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds33
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002432.90
LogP ≤ 525.50
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol;1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-methylthiourea;[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid with MolForge

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Related Compounds

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
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
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde;[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanamine;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylidene]hydroxylamine;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propan-2-ol;3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propan-1-ol
CID 160096159
6-bromo-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(1,3-dioxolan-2-ylmethyl)-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-[(1-ethylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[2-(2-fluorophenyl)ethyl]piperidin-4-one;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;oxalic acid
CID 162178733

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-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol;1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-methylthiourea;[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;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol;1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-methylthiourea;[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid (CID 161036199) is N-[[1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol;1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-methylthiourea;[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;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol;1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-methylthiourea;[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;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol;1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-methylthiourea;[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid is CC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(Br)cc4)CC3)c2c1.CC(O)c1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.CNC(=S)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.NC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.O=C(O)C(=O)O.O=Cc1ccc2ccn(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-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol;1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-methylthiourea;[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid?
The InChIKey is CHZPRAAQYNJASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN3O.C24H29FN4S.C23H27FN4O.C23H27FN2O.C22H25FN2O.C22H23FN2O.C2H2O4/c1-18(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;1-26-24(30)27-17-19-2-5-20-9-15-29(23(20)16-19)22-10-13-28(14-11-22)12-8-18-3-6-21(25)7-4-18;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/h2-7,9,15-16,23H,8,10-14,17H2,1H3,(H,26,29);2-7,9,15-16,22H,8,10-14,17H2,1H3,(H2,26,27,30);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;1-6,8,14-15,20,26H,7,9-13,16H2;1-6,8,14-16,20H,7,9-13H2;(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-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol;1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-methylthiourea;[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;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol;1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-methylthiourea;[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid has a molecular weight of 2432.90 g/mol, XLogP of 25.50, 33 rotatable bonds, 9 hydrogen bond donors, and 20 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-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]ethanol;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methanol;1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-methylthiourea;[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methylurea;oxalic acid is sourced from PubChem (CID 161036199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).