5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-piperidin-4-yl-3-[4-(trifluoromethoxy)phenyl]indole

C32H34ClF3N4O — CID 129185891

IUPAC5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-piperidin-4-yl-3-[4-(trifluoromethoxy)phenyl]indole
SMILESFC(F)(F)Oc1ccc(-c2cn(C3CCNCC3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1
InChIInChI=1S/C32H34ClF3N4O/c33-30-4-2-1-3-25(30)21-39-17-15-38(16-18-39)20-23-5-10-31-28(19-23)29(22-40(31)26-11-13-37-14-12-26)24-6-8-27(9-7-24)41-32(34,35)36/h1-10,19,22,26,37H,11-18,20-21H2
InChIKeySZRDLFQKRIRQML-UHFFFAOYSA-N
MW583.10 g/mol
LogP7.10
Rot. Bonds7

About 5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-piperidin-4-yl-3-[4-(trifluoromethoxy)phenyl]indole

5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-piperidin-4-yl-3-[4-(trifluoromethoxy)phenyl]indole (PubChem CID 129185891) has the molecular formula C32H34ClF3N4O and a molecular weight of 583.10 g/mol. Its IUPAC name is 5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-piperidin-4-yl-3-[4-(trifluoromethoxy)phenyl]indole.

Molecular Properties

Compound Name5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-piperidin-4-yl-3-[4-(trifluoromethoxy)phenyl]indole
PubChem CID129185891
Molecular FormulaC32H34ClF3N4O
Molecular Weight583.10 g/mol
Exact Mass582.24
IUPAC Name5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-piperidin-4-yl-3-[4-(trifluoromethoxy)phenyl]indole
SMILESFC(F)(F)Oc1ccc(-c2cn(C3CCNCC3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1
InChIInChI=1S/C32H34ClF3N4O/c33-30-4-2-1-3-25(30)21-39-17-15-38(16-18-39)20-23-5-10-31-28(19-23)29(22-40(31)26-11-13-37-14-12-26)24-6-8-27(9-7-24)41-32(34,35)36/h1-10,19,22,26,37H,11-18,20-21H2
InChIKeySZRDLFQKRIRQML-UHFFFAOYSA-N
XLogP7.10
TPSA32.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.10
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-piperidin-4-yl-3-[4-(trifluoromethoxy)phenyl]indole 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

5-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-2-methylpentan-2-amine
CID 129185898
3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]benzonitrile
CID 129185793
5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(fluoromethoxy)phenyl]-1-(piperidin-4-ylmethyl)indole
CID 129200856
[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-2-pyridinyl]methanamine
CID 129185858
5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(3-pyridin-2-ylpropyl)-3-[4-(trifluoromethoxy)phenyl]indole
CID 129193555
[2-[5-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1-piperidin-4-ylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine
CID 129185719
N-[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]-N-pyridin-2-ylpyridin-2-amine
CID 129185849
3-[5-[[2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;hydrochloride
CID 129186101
1-butyl-5-[[4-[(2-chloro-3-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 129193489
[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine
CID 129193571
4-amino-N-[3-[5-[[5-[(2-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129201228
1-[[2-[4-(trifluoromethoxy)phenyl]phenyl]methyl]piperazine
CID 90732660

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-piperidin-4-yl-3-[4-(trifluoromethoxy)phenyl]indole?
The IUPAC name of 5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-piperidin-4-yl-3-[4-(trifluoromethoxy)phenyl]indole (CID 129185891) is 5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-piperidin-4-yl-3-[4-(trifluoromethoxy)phenyl]indole.
What is the SMILES notation for 5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-piperidin-4-yl-3-[4-(trifluoromethoxy)phenyl]indole?
The canonical SMILES for 5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-piperidin-4-yl-3-[4-(trifluoromethoxy)phenyl]indole is FC(F)(F)Oc1ccc(-c2cn(C3CCNCC3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1.
What is the InChIKey of 5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-piperidin-4-yl-3-[4-(trifluoromethoxy)phenyl]indole?
The InChIKey is SZRDLFQKRIRQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClF3N4O/c33-30-4-2-1-3-25(30)21-39-17-15-38(16-18-39)20-23-5-10-31-28(19-23)29(22-40(31)26-11-13-37-14-12-26)24-6-8-27(9-7-24)41-32(34,35)36/h1-10,19,22,26,37H,11-18,20-21H2.
What are the key properties of 5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-piperidin-4-yl-3-[4-(trifluoromethoxy)phenyl]indole?
5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-piperidin-4-yl-3-[4-(trifluoromethoxy)phenyl]indole has a molecular weight of 583.10 g/mol, XLogP of 7.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-piperidin-4-yl-3-[4-(trifluoromethoxy)phenyl]indole is sourced from PubChem (CID 129185891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).