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

C141H172BrF6N15O12 — CID 162178733

IUPAC6-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
SMILESCCN1CCC(CNC(=O)Cc2ccc3ccn(C4CCN(CCc5ccccc5F)CC4)c3c2)CC1.Fc1ccccc1CCN1CCC(N2CCc3ccc(Br)cc32)CC1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1)NCC1OCCO1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1)NCCO.O=C(O)C(=O)O.O=C1CCN(CCc2ccccc2F)CC1.OCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2
InChIInChI=1S/C31H41FN4O.C27H32FN3O3.C25H30FN3O2.C22H27FN2O.C21H24BrFN2.C13H16FNO.C2H2O4/c1-2-34-15-9-24(10-16-34)23-33-31(37)22-25-7-8-27-12-20-36(30(27)21-25)28-13-18-35(19-14-28)17-11-26-5-3-4-6-29(26)32;28-24-4-2-1-3-21(24)7-11-30-12-9-23(10-13-30)31-14-8-22-6-5-20(17-25(22)31)18-26(32)29-19-27-33-15-16-34-27;26-23-4-2-1-3-20(23)7-12-28-13-9-22(10-14-28)29-15-8-21-6-5-19(17-24(21)29)18-25(31)27-11-16-30;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;22-18-6-5-17-8-14-25(21(17)15-18)19-9-12-24(13-10-19)11-7-16-3-1-2-4-20(16)23;14-13-4-2-1-3-11(13)5-8-15-9-6-12(16)7-10-15;3-1(4)2(5)6/h3-8,12,20-21,24,28H,2,9-11,13-19,22-23H2,1H3,(H,33,37);1-6,8,14,17,23,27H,7,9-13,15-16,18-19H2,(H,29,32);1-6,8,15,17,22,30H,7,9-14,16,18H2,(H,27,31);1-6,15,20,26H,7-14,16H2;1-6,15,19H,7-14H2;1-4H,5-10H2;(H,3,4)(H,5,6)
InChIKeyRVRDDKKFZXAMIL-UHFFFAOYSA-N
MW2462.91 g/mol
LogP21.29
Rot. Bonds37

About 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

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 (PubChem CID 162178733) has the molecular formula C141H172BrF6N15O12 and a molecular weight of 2462.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID162178733
Molecular FormulaC141H172BrF6N15O12
Molecular Weight2462.91 g/mol
Exact Mass2460.24
IUPAC Name6-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
SMILESCCN1CCC(CNC(=O)Cc2ccc3ccn(C4CCN(CCc5ccccc5F)CC4)c3c2)CC1.Fc1ccccc1CCN1CCC(N2CCc3ccc(Br)cc32)CC1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1)NCC1OCCO1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1)NCCO.O=C(O)C(=O)O.O=C1CCN(CCc2ccccc2F)CC1.OCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2
InChIInChI=1S/C31H41FN4O.C27H32FN3O3.C25H30FN3O2.C22H27FN2O.C21H24BrFN2.C13H16FNO.C2H2O4/c1-2-34-15-9-24(10-16-34)23-33-31(37)22-25-7-8-27-12-20-36(30(27)21-25)28-13-18-35(19-14-28)17-11-26-5-3-4-6-29(26)32;28-24-4-2-1-3-21(24)7-11-30-12-9-23(10-13-30)31-14-8-22-6-5-20(17-25(22)31)18-26(32)29-19-27-33-15-16-34-27;26-23-4-2-1-3-20(23)7-12-28-13-9-22(10-14-28)29-15-8-21-6-5-19(17-24(21)29)18-25(31)27-11-16-30;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;22-18-6-5-17-8-14-25(21(17)15-18)19-9-12-24(13-10-19)11-7-16-3-1-2-4-20(16)23;14-13-4-2-1-3-11(13)5-8-15-9-6-12(16)7-10-15;3-1(4)2(5)6/h3-8,12,20-21,24,28H,2,9-11,13-19,22-23H2,1H3,(H,33,37);1-6,8,14,17,23,27H,7,9-13,15-16,18-19H2,(H,29,32);1-6,8,15,17,22,30H,7,9-14,16,18H2,(H,27,31);1-6,15,20,26H,7-14,16H2;1-6,15,19H,7-14H2;1-4H,5-10H2;(H,3,4)(H,5,6)
InChIKeyRVRDDKKFZXAMIL-UHFFFAOYSA-N
XLogP21.29
TPSA281.84 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds37
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002462.91
LogP ≤ 521.29
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1CCC(CNC(=O)Cc2ccc3ccn(C4CCN(CCc5ccccc5F)CC4)c3c2)CC1.Fc1ccccc1CCN1CCC(N2CCc3ccc(Br)cc32)CC1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1)NCC1OCCO1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1)NCCO.O=C(O)C(=O)O.O=C1CCN(CCc2ccccc2F)CC1.OCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2.
What is the InChIKey of 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?
The InChIKey is RVRDDKKFZXAMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41FN4O.C27H32FN3O3.C25H30FN3O2.C22H27FN2O.C21H24BrFN2.C13H16FNO.C2H2O4/c1-2-34-15-9-24(10-16-34)23-33-31(37)22-25-7-8-27-12-20-36(30(27)21-25)28-13-18-35(19-14-28)17-11-26-5-3-4-6-29(26)32;28-24-4-2-1-3-21(24)7-11-30-12-9-23(10-13-30)31-14-8-22-6-5-20(17-25(22)31)18-26(32)29-19-27-33-15-16-34-27;26-23-4-2-1-3-20(23)7-12-28-13-9-22(10-14-28)29-15-8-21-6-5-19(17-24(21)29)18-25(31)27-11-16-30;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;22-18-6-5-17-8-14-25(21(17)15-18)19-9-12-24(13-10-19)11-7-16-3-1-2-4-20(16)23;14-13-4-2-1-3-11(13)5-8-15-9-6-12(16)7-10-15;3-1(4)2(5)6/h3-8,12,20-21,24,28H,2,9-11,13-19,22-23H2,1H3,(H,33,37);1-6,8,14,17,23,27H,7,9-13,15-16,18-19H2,(H,29,32);1-6,8,15,17,22,30H,7,9-14,16,18H2,(H,27,31);1-6,15,20,26H,7-14,16H2;1-6,15,19H,7-14H2;1-4H,5-10H2;(H,3,4)(H,5,6).
What are the key properties of 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?
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 has a molecular weight of 2462.91 g/mol, XLogP of 21.29, 37 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162178733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).