1-butyl-5-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-propylphenyl)indol-1-yl]propan-1-amine

C129H143Cl4F12N13O3 — CID 160532026

IUPAC1-butyl-5-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-propylphenyl)indol-1-yl]propan-1-amine
SMILESCC(C)(C)CCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccc(Cl)cc4Cl)CC3)ccc21.CCCc1ccccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12
InChIInChI=1S/C34H39ClF3N3O.C32H39ClN4.C32H33F6N3O.C31H32Cl2F3N3O/c1-33(2,3)15-6-16-41-24-30(26-10-12-28(13-11-26)42-34(36,37)38)29-21-25(9-14-32(29)41)22-39-17-19-40(20-18-39)23-27-7-4-5-8-31(27)35;1-2-8-26-9-3-5-11-28(26)30-24-37(16-7-15-34)32-14-13-25(21-29(30)32)22-35-17-19-36(20-18-35)23-27-10-4-6-12-31(27)33;1-2-3-14-41-22-29(25-7-11-27(12-8-25)42-32(36,37)38)28-19-24(6-13-30(28)41)21-40-17-15-39(16-18-40)20-23-4-9-26(10-5-23)31(33,34)35;1-2-3-12-39-21-28(23-6-9-26(10-7-23)40-31(34,35)36)27-17-22(4-11-30(27)39)19-37-13-15-38(16-14-37)20-24-5-8-25(32)18-29(24)33/h4-5,7-14,21,24H,6,15-20,22-23H2,1-3H3;3-6,9-14,21,24H,2,7-8,15-20,22-23,34H2,1H3;4-13,19,22H,2-3,14-18,20-21H2,1H3;4-11,17-18,21H,2-3,12-16,19-20H2,1H3
InChIKeyQVRCFVXKJMFILV-UHFFFAOYSA-N
MW2293.44 g/mol
LogP32.56
Rot. Bonds37

About 1-butyl-5-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-propylphenyl)indol-1-yl]propan-1-amine

1-butyl-5-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-propylphenyl)indol-1-yl]propan-1-amine (PubChem CID 160532026) has the molecular formula C129H143Cl4F12N13O3 and a molecular weight of 2293.44 g/mol. Its IUPAC name is 1-butyl-5-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-propylphenyl)indol-1-yl]propan-1-amine.

Molecular Properties

Compound Name1-butyl-5-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-propylphenyl)indol-1-yl]propan-1-amine
PubChem CID160532026
Molecular FormulaC129H143Cl4F12N13O3
Molecular Weight2293.44 g/mol
Exact Mass2290.00
IUPAC Name1-butyl-5-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-propylphenyl)indol-1-yl]propan-1-amine
SMILESCC(C)(C)CCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccc(Cl)cc4Cl)CC3)ccc21.CCCc1ccccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12
InChIInChI=1S/C34H39ClF3N3O.C32H39ClN4.C32H33F6N3O.C31H32Cl2F3N3O/c1-33(2,3)15-6-16-41-24-30(26-10-12-28(13-11-26)42-34(36,37)38)29-21-25(9-14-32(29)41)22-39-17-19-40(20-18-39)23-27-7-4-5-8-31(27)35;1-2-8-26-9-3-5-11-28(26)30-24-37(16-7-15-34)32-14-13-25(21-29(30)32)22-35-17-19-36(20-18-35)23-27-10-4-6-12-31(27)33;1-2-3-14-41-22-29(25-7-11-27(12-8-25)42-32(36,37)38)28-19-24(6-13-30(28)41)21-40-17-15-39(16-18-40)20-23-4-9-26(10-5-23)31(33,34)35;1-2-3-12-39-21-28(23-6-9-26(10-7-23)40-31(34,35)36)27-17-22(4-11-30(27)39)19-37-13-15-38(16-14-37)20-24-5-8-25(32)18-29(24)33/h4-5,7-14,21,24H,6,15-20,22-23H2,1-3H3;3-6,9-14,21,24H,2,7-8,15-20,22-23,34H2,1H3;4-13,19,22H,2-3,14-18,20-21H2,1H3;4-11,17-18,21H,2-3,12-16,19-20H2,1H3
InChIKeyQVRCFVXKJMFILV-UHFFFAOYSA-N
XLogP32.56
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds37
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002293.44
LogP ≤ 532.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 1-butyl-5-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-propylphenyl)indol-1-yl]propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-[5-[[4-[(2,6-Dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 118541044
5-[[4-[(2-Chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(piperidin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indole;dihydrochloride
CID 129185720
3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-N-methylpropan-1-amine
CID 129185725
3-[5-[[2-[(2-Chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 129185741
[5-[[5-[[4-[(2-Chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]methyl]pyridin-2-yl]methanamine
CID 129185760
3-[3-[2-(Aminomethyl)-4-(trifluoromethoxy)phenyl]-5-[[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]indol-1-yl]propan-1-amine
CID 129185775
4-[5-[[4-[(2,6-Dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butan-1-amine
CID 129185790
3-[3-[2-(Aminomethyl)-4-(trifluoromethoxy)phenyl]-5-[[2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methyl]indol-1-yl]propan-1-amine
CID 129185796
4-amino-N-[3-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129185826
4-amino-N-[3-[5-[[8-[(2,6-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129185834
3-[5-[[4-[2-(2-Chlorophenyl)propan-2-yl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;hydrochloride
CID 129185850
5-[[4-[(2-Chlorophenyl)methyl]piperazin-1-yl]methyl]-1-pyrrolidin-3-yl-3-[4-(trifluoromethoxy)phenyl]indole;dihydrochloride
CID 129185879

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-propylphenyl)indol-1-yl]propan-1-amine?
The IUPAC name of 1-butyl-5-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-propylphenyl)indol-1-yl]propan-1-amine (CID 160532026) is 1-butyl-5-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-propylphenyl)indol-1-yl]propan-1-amine.
What is the SMILES notation for 1-butyl-5-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-propylphenyl)indol-1-yl]propan-1-amine?
The canonical SMILES for 1-butyl-5-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-propylphenyl)indol-1-yl]propan-1-amine is CC(C)(C)CCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccc(Cl)cc4Cl)CC3)ccc21.CCCc1ccccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.
What is the InChIKey of 1-butyl-5-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-propylphenyl)indol-1-yl]propan-1-amine?
The InChIKey is QVRCFVXKJMFILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39ClF3N3O.C32H39ClN4.C32H33F6N3O.C31H32Cl2F3N3O/c1-33(2,3)15-6-16-41-24-30(26-10-12-28(13-11-26)42-34(36,37)38)29-21-25(9-14-32(29)41)22-39-17-19-40(20-18-39)23-27-7-4-5-8-31(27)35;1-2-8-26-9-3-5-11-28(26)30-24-37(16-7-15-34)32-14-13-25(21-29(30)32)22-35-17-19-36(20-18-35)23-27-10-4-6-12-31(27)33;1-2-3-14-41-22-29(25-7-11-27(12-8-25)42-32(36,37)38)28-19-24(6-13-30(28)41)21-40-17-15-39(16-18-40)20-23-4-9-26(10-5-23)31(33,34)35;1-2-3-12-39-21-28(23-6-9-26(10-7-23)40-31(34,35)36)27-17-22(4-11-30(27)39)19-37-13-15-38(16-14-37)20-24-5-8-25(32)18-29(24)33/h4-5,7-14,21,24H,6,15-20,22-23H2,1-3H3;3-6,9-14,21,24H,2,7-8,15-20,22-23,34H2,1H3;4-13,19,22H,2-3,14-18,20-21H2,1H3;4-11,17-18,21H,2-3,12-16,19-20H2,1H3.
What are the key properties of 1-butyl-5-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-propylphenyl)indol-1-yl]propan-1-amine?
1-butyl-5-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-propylphenyl)indol-1-yl]propan-1-amine has a molecular weight of 2293.44 g/mol, XLogP of 32.56, 37 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-propylphenyl)indol-1-yl]propan-1-amine is sourced from PubChem (CID 160532026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).