3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;3-[4-[4-[4-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one;4-(1H-indol-3-yl)butanoic acid;4-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenol;4-(1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one;3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole

C175H214F2N22O11 — CID 161026950

IUPAC3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;3-[4-[4-[4-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one;4-(1H-indol-3-yl)butanoic acid;4-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenol;4-(1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one;3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole
SMILESCCCOc1ccc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1.COc1ccc(N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)cc1.COc1ccc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1.FCCOc1ccc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1.O=C(CCCc1c[nH]c2ccccc12)N1CCN(c2ccc(O)cc2)CC1.O=C(O)CCCc1c[nH]c2ccccc12.Oc1ccc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1.[18F]CCOc1ccc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C25H33N3O.2C24H30FN3O.C23H27N3O2.C23H29N3O.C22H25N3O2.C22H27N3O.C12H13NO2/c1-2-19-29-23-12-10-22(11-13-23)28-17-15-27(16-18-28)14-6-5-7-21-20-26-25-9-4-3-8-24(21)25;2*25-12-18-29-22-10-8-21(9-11-22)28-16-14-27(15-17-28)13-4-3-5-20-19-26-24-7-2-1-6-23(20)24;1-28-20-11-9-19(10-12-20)25-13-15-26(16-14-25)23(27)8-4-5-18-17-24-22-7-3-2-6-21(18)22;1-27-21-11-9-20(10-12-21)26-16-14-25(15-17-26)13-5-4-6-19-18-24-23-8-3-2-7-22(19)23;26-19-10-8-18(9-11-19)24-12-14-25(15-13-24)22(27)7-3-4-17-16-23-21-6-2-1-5-20(17)21;26-20-10-8-19(9-11-20)25-15-13-24(14-16-25)12-4-3-5-18-17-23-22-7-2-1-6-21(18)22;14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h3-4,8-13,20,26H,2,5-7,14-19H2,1H3;2*1-2,6-11,19,26H,3-5,12-18H2;2-3,6-7,9-12,17,24H,4-5,8,13-16H2,1H3;2-3,7-12,18,24H,4-6,13-17H2,1H3;1-2,5-6,8-11,16,23,26H,3-4,7,12-15H2;1-2,6-11,17,23,26H,3-5,12-16H2;1-2,5-6,8,13H,3-4,7H2,(H,14,15)/i;25-1;;;;;;
InChIKeyTZCLICQYXDPRTF-ODRVGYOBSA-N
MW2838.78 g/mol
LogP32.73
Rot. Bonds55

About 3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;3-[4-[4-[4-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one;4-(1H-indol-3-yl)butanoic acid;4-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenol;4-(1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one;3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole

3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;3-[4-[4-[4-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one;4-(1H-indol-3-yl)butanoic acid;4-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenol;4-(1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one;3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole (PubChem CID 161026950) has the molecular formula C175H214F2N22O11 and a molecular weight of 2838.78 g/mol. Its IUPAC name is 3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;3-[4-[4-[4-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one;4-(1H-indol-3-yl)butanoic acid;4-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenol;4-(1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one;3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole.

Molecular Properties

Compound Name3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;3-[4-[4-[4-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one;4-(1H-indol-3-yl)butanoic acid;4-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenol;4-(1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one;3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole
PubChem CID161026950
Molecular FormulaC175H214F2N22O11
Molecular Weight2838.78 g/mol
Exact Mass2836.69
IUPAC Name3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;3-[4-[4-[4-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one;4-(1H-indol-3-yl)butanoic acid;4-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenol;4-(1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one;3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole
SMILESCCCOc1ccc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1.COc1ccc(N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)cc1.COc1ccc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1.FCCOc1ccc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1.O=C(CCCc1c[nH]c2ccccc12)N1CCN(c2ccc(O)cc2)CC1.O=C(O)CCCc1c[nH]c2ccccc12.Oc1ccc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1.[18F]CCOc1ccc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C25H33N3O.2C24H30FN3O.C23H27N3O2.C23H29N3O.C22H25N3O2.C22H27N3O.C12H13NO2/c1-2-19-29-23-12-10-22(11-13-23)28-17-15-27(16-18-28)14-6-5-7-21-20-26-25-9-4-3-8-24(21)25;2*25-12-18-29-22-10-8-21(9-11-22)28-16-14-27(15-17-28)13-4-3-5-20-19-26-24-7-2-1-6-23(20)24;1-28-20-11-9-19(10-12-20)25-13-15-26(16-14-25)23(27)8-4-5-18-17-24-22-7-3-2-6-21(18)22;1-27-21-11-9-20(10-12-21)26-16-14-25(15-17-26)13-5-4-6-19-18-24-23-8-3-2-7-22(19)23;26-19-10-8-18(9-11-19)24-12-14-25(15-13-24)22(27)7-3-4-17-16-23-21-6-2-1-5-20(17)21;26-20-10-8-19(9-11-20)25-15-13-24(14-16-25)12-4-3-5-18-17-23-22-7-2-1-6-21(18)22;14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h3-4,8-13,20,26H,2,5-7,14-19H2,1H3;2*1-2,6-11,19,26H,3-5,12-18H2;2-3,6-7,9-12,17,24H,4-5,8,13-16H2,1H3;2-3,7-12,18,24H,4-6,13-17H2,1H3;1-2,5-6,8-11,16,23,26H,3-4,7,12-15H2;1-2,6-11,17,23,26H,3-5,12-16H2;1-2,5-6,8,13H,3-4,7H2,(H,14,15)/i;25-1;;;;;;
InChIKeyTZCLICQYXDPRTF-ODRVGYOBSA-N
XLogP32.73
TPSA329.73 Ų
H-Bond Donors11
H-Bond Acceptors22
Rotatable Bonds55
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002838.78
LogP ≤ 532.73
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;3-[4-[4-[4-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one;4-(1H-indol-3-yl)butanoic acid;4-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenol;4-(1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one;3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;3-[4-[4-[4-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one;4-(1H-indol-3-yl)butanoic acid;4-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenol;4-(1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one;3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole?
The IUPAC name of 3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;3-[4-[4-[4-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one;4-(1H-indol-3-yl)butanoic acid;4-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenol;4-(1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one;3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole (CID 161026950) is 3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;3-[4-[4-[4-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one;4-(1H-indol-3-yl)butanoic acid;4-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenol;4-(1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one;3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole.
What is the SMILES notation for 3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;3-[4-[4-[4-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one;4-(1H-indol-3-yl)butanoic acid;4-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenol;4-(1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one;3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole?
The canonical SMILES for 3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;3-[4-[4-[4-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one;4-(1H-indol-3-yl)butanoic acid;4-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenol;4-(1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one;3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole is CCCOc1ccc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1.COc1ccc(N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)cc1.COc1ccc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1.FCCOc1ccc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1.O=C(CCCc1c[nH]c2ccccc12)N1CCN(c2ccc(O)cc2)CC1.O=C(O)CCCc1c[nH]c2ccccc12.Oc1ccc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1.[18F]CCOc1ccc(N2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;3-[4-[4-[4-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one;4-(1H-indol-3-yl)butanoic acid;4-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenol;4-(1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one;3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole?
The InChIKey is TZCLICQYXDPRTF-ODRVGYOBSA-N. The full InChI is InChI=1S/C25H33N3O.2C24H30FN3O.C23H27N3O2.C23H29N3O.C22H25N3O2.C22H27N3O.C12H13NO2/c1-2-19-29-23-12-10-22(11-13-23)28-17-15-27(16-18-28)14-6-5-7-21-20-26-25-9-4-3-8-24(21)25;2*25-12-18-29-22-10-8-21(9-11-22)28-16-14-27(15-17-28)13-4-3-5-20-19-26-24-7-2-1-6-23(20)24;1-28-20-11-9-19(10-12-20)25-13-15-26(16-14-25)23(27)8-4-5-18-17-24-22-7-3-2-6-21(18)22;1-27-21-11-9-20(10-12-21)26-16-14-25(15-17-26)13-5-4-6-19-18-24-23-8-3-2-7-22(19)23;26-19-10-8-18(9-11-19)24-12-14-25(15-13-24)22(27)7-3-4-17-16-23-21-6-2-1-5-20(17)21;26-20-10-8-19(9-11-20)25-15-13-24(14-16-25)12-4-3-5-18-17-23-22-7-2-1-6-21(18)22;14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h3-4,8-13,20,26H,2,5-7,14-19H2,1H3;2*1-2,6-11,19,26H,3-5,12-18H2;2-3,6-7,9-12,17,24H,4-5,8,13-16H2,1H3;2-3,7-12,18,24H,4-6,13-17H2,1H3;1-2,5-6,8-11,16,23,26H,3-4,7,12-15H2;1-2,6-11,17,23,26H,3-5,12-16H2;1-2,5-6,8,13H,3-4,7H2,(H,14,15)/i;25-1;;;;;;.
What are the key properties of 3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;3-[4-[4-[4-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one;4-(1H-indol-3-yl)butanoic acid;4-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenol;4-(1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one;3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole?
3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;3-[4-[4-[4-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one;4-(1H-indol-3-yl)butanoic acid;4-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenol;4-(1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one;3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole has a molecular weight of 2838.78 g/mol, XLogP of 32.73, 55 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;3-[4-[4-[4-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole;1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one;4-(1H-indol-3-yl)butanoic acid;4-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenol;4-(1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one;3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole;3-[4-[4-(4-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole is sourced from PubChem (CID 161026950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).