6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(2,3-dihydroxypropyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylmethanesulfonamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid

C149H174ClF6N17O16S — CID 159802353

IUPAC6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(2,3-dihydroxypropyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylmethanesulfonamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid
SMILESCC(=O)Nc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.CNS(=O)(=O)Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.Fc1ccccc1CCN1CCC(N2CCc3ccc(CCl)cc32)CC1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCC(O)CO.O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCc1ccccn1.O=C(O)C(=O)O.O=C(O)C(=O)O.OCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2
InChIInChI=1S/C29H31FN4O.C26H32FN3O3.C23H28FN3O2S.C23H26FN3O.C22H26ClFN2.C22H27FN2O.2C2H2O4/c30-25-8-5-22(6-9-25)10-15-33-16-12-27(13-17-33)34-18-11-24-7-4-23(19-28(24)34)20-29(35)32-21-26-3-1-2-14-31-26;27-22-5-2-19(3-6-22)7-11-29-12-9-23(10-13-29)30-14-8-21-4-1-20(15-25(21)30)16-26(33)28-17-24(32)18-31;1-25-30(28,29)17-19-2-5-20-9-15-27(23(20)16-19)22-10-13-26(14-11-22)12-8-18-3-6-21(24)7-4-18;1-17(28)25-21-7-4-19-9-15-27(23(19)16-21)22-10-13-26(14-11-22)12-8-18-2-5-20(24)6-3-18;23-16-17-5-6-19-8-14-26(22(19)15-17)20-9-12-25(13-10-20)11-7-18-3-1-2-4-21(18)24;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;2*3-1(4)2(5)6/h1-9,11,14,18-19,27H,10,12-13,15-17,20-21H2,(H,32,35);1-6,8,14-15,23-24,31-32H,7,9-13,16-18H2,(H,28,33);2-7,9,15-16,22,25H,8,10-14,17H2,1H3;2-7,9,15-16,22H,8,10-14H2,1H3,(H,25,28);1-6,15,20H,7-14,16H2;1-6,15,20,26H,7-14,16H2;2*(H,3,4)(H,5,6)
InChIKeySXVWJZIBVXAXBL-UHFFFAOYSA-N
MW2640.64 g/mol
LogP22.25
Rot. Bonds39

About 6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(2,3-dihydroxypropyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylmethanesulfonamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid

6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(2,3-dihydroxypropyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylmethanesulfonamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid (PubChem CID 159802353) has the molecular formula C149H174ClF6N17O16S and a molecular weight of 2640.64 g/mol. Its IUPAC name is 6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(2,3-dihydroxypropyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylmethanesulfonamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid.

Molecular Properties

Compound Name6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(2,3-dihydroxypropyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylmethanesulfonamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid
PubChem CID159802353
Molecular FormulaC149H174ClF6N17O16S
Molecular Weight2640.64 g/mol
Exact Mass2638.26
IUPAC Name6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(2,3-dihydroxypropyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylmethanesulfonamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid
SMILESCC(=O)Nc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.CNS(=O)(=O)Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.Fc1ccccc1CCN1CCC(N2CCc3ccc(CCl)cc32)CC1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCC(O)CO.O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCc1ccccn1.O=C(O)C(=O)O.O=C(O)C(=O)O.OCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2
InChIInChI=1S/C29H31FN4O.C26H32FN3O3.C23H28FN3O2S.C23H26FN3O.C22H26ClFN2.C22H27FN2O.2C2H2O4/c30-25-8-5-22(6-9-25)10-15-33-16-12-27(13-17-33)34-18-11-24-7-4-23(19-28(24)34)20-29(35)32-21-26-3-1-2-14-31-26;27-22-5-2-19(3-6-22)7-11-29-12-9-23(10-13-29)30-14-8-21-4-1-20(15-25(21)30)16-26(33)28-17-24(32)18-31;1-25-30(28,29)17-19-2-5-20-9-15-27(23(20)16-19)22-10-13-26(14-11-22)12-8-18-3-6-21(24)7-4-18;1-17(28)25-21-7-4-19-9-15-27(23(19)16-21)22-10-13-26(14-11-22)12-8-18-2-5-20(24)6-3-18;23-16-17-5-6-19-8-14-26(22(19)15-17)20-9-12-25(13-10-20)11-7-18-3-1-2-4-21(18)24;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;2*3-1(4)2(5)6/h1-9,11,14,18-19,27H,10,12-13,15-17,20-21H2,(H,32,35);1-6,8,14-15,23-24,31-32H,7,9-13,16-18H2,(H,28,33);2-7,9,15-16,22,25H,8,10-14,17H2,1H3;2-7,9,15-16,22H,8,10-14H2,1H3,(H,25,28);1-6,15,20H,7-14,16H2;1-6,15,20,26H,7-14,16H2;2*(H,3,4)(H,5,6)
InChIKeySXVWJZIBVXAXBL-UHFFFAOYSA-N
XLogP22.25
TPSA401.89 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds39
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002640.64
LogP ≤ 522.25
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(2,3-dihydroxypropyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylmethanesulfonamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(2,3-dihydroxypropyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylmethanesulfonamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid?
The IUPAC name of 6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(2,3-dihydroxypropyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylmethanesulfonamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid (CID 159802353) is 6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(2,3-dihydroxypropyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylmethanesulfonamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid.
What is the SMILES notation for 6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(2,3-dihydroxypropyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylmethanesulfonamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid?
The canonical SMILES for 6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(2,3-dihydroxypropyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylmethanesulfonamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid is CC(=O)Nc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.CNS(=O)(=O)Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.Fc1ccccc1CCN1CCC(N2CCc3ccc(CCl)cc32)CC1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCC(O)CO.O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCc1ccccn1.O=C(O)C(=O)O.O=C(O)C(=O)O.OCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2.
What is the InChIKey of 6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(2,3-dihydroxypropyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylmethanesulfonamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid?
The InChIKey is SXVWJZIBVXAXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O.C26H32FN3O3.C23H28FN3O2S.C23H26FN3O.C22H26ClFN2.C22H27FN2O.2C2H2O4/c30-25-8-5-22(6-9-25)10-15-33-16-12-27(13-17-33)34-18-11-24-7-4-23(19-28(24)34)20-29(35)32-21-26-3-1-2-14-31-26;27-22-5-2-19(3-6-22)7-11-29-12-9-23(10-13-29)30-14-8-21-4-1-20(15-25(21)30)16-26(33)28-17-24(32)18-31;1-25-30(28,29)17-19-2-5-20-9-15-27(23(20)16-19)22-10-13-26(14-11-22)12-8-18-3-6-21(24)7-4-18;1-17(28)25-21-7-4-19-9-15-27(23(19)16-21)22-10-13-26(14-11-22)12-8-18-2-5-20(24)6-3-18;23-16-17-5-6-19-8-14-26(22(19)15-17)20-9-12-25(13-10-20)11-7-18-3-1-2-4-21(18)24;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;2*3-1(4)2(5)6/h1-9,11,14,18-19,27H,10,12-13,15-17,20-21H2,(H,32,35);1-6,8,14-15,23-24,31-32H,7,9-13,16-18H2,(H,28,33);2-7,9,15-16,22,25H,8,10-14,17H2,1H3;2-7,9,15-16,22H,8,10-14H2,1H3,(H,25,28);1-6,15,20H,7-14,16H2;1-6,15,20,26H,7-14,16H2;2*(H,3,4)(H,5,6).
What are the key properties of 6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(2,3-dihydroxypropyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylmethanesulfonamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid?
6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(2,3-dihydroxypropyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylmethanesulfonamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid has a molecular weight of 2640.64 g/mol, XLogP of 22.25, 39 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(2,3-dihydroxypropyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylmethanesulfonamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid is sourced from PubChem (CID 159802353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).