3-[3-(4-methylpiperazin-1-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole

C24H28F3N3 — CID 170864386

IUPAC3-[3-(4-methylpiperazin-1-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole
SMILESCN1CCN(CCCc2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)CC1
InChIInChI=1S/C24H28F3N3/c1-28-12-14-29(15-13-28)11-5-7-20-18-30(23-10-3-2-9-22(20)23)17-19-6-4-8-21(16-19)24(25,26)27/h2-4,6,8-10,16,18H,5,7,11-15,17H2,1H3
InChIKeyMPKXDVCXNSOCRK-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.89
Rot. Bonds6

About 3-[3-(4-methylpiperazin-1-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole

3-[3-(4-methylpiperazin-1-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole (PubChem CID 170864386) has the molecular formula C24H28F3N3 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-[3-(4-methylpiperazin-1-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole.

Molecular Properties

Compound Name3-[3-(4-methylpiperazin-1-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole
PubChem CID170864386
Molecular FormulaC24H28F3N3
Molecular Weight415.50 g/mol
Exact Mass415.22
IUPAC Name3-[3-(4-methylpiperazin-1-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole
SMILESCN1CCN(CCCc2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)CC1
InChIInChI=1S/C24H28F3N3/c1-28-12-14-29(15-13-28)11-5-7-20-18-30(23-10-3-2-9-22(20)23)17-19-6-4-8-21(16-19)24(25,26)27/h2-4,6,8-10,16,18H,5,7,11-15,17H2,1H3
InChIKeyMPKXDVCXNSOCRK-UHFFFAOYSA-N
XLogP4.89
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[3-(4-methylpiperazin-1-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]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

1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864392
1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864377
1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864406
1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole
CID 170868364
2-(1-benzylindol-3-yl)-N'-[[3-(trifluoromethyl)phenyl]methyl]acetohydrazide
CID 54467660
1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine
CID 170862295
1-pyrrolidin-1-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]sulfanylethanone
CID 178072281
methyl 2-[(1-benzylindol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetate
CID 57248001
3-(cyclopropylidenemethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole;ethyl formate
CID 174465393
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]aniline;dihydrochloride
CID 131882712
6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinoline-3-carbonitrilium
CID 143576359
1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole
CID 170862469

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylpiperazin-1-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole?
The IUPAC name of 3-[3-(4-methylpiperazin-1-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole (CID 170864386) is 3-[3-(4-methylpiperazin-1-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole.
What is the SMILES notation for 3-[3-(4-methylpiperazin-1-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole?
The canonical SMILES for 3-[3-(4-methylpiperazin-1-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole is CN1CCN(CCCc2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)CC1.
What is the InChIKey of 3-[3-(4-methylpiperazin-1-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole?
The InChIKey is MPKXDVCXNSOCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3/c1-28-12-14-29(15-13-28)11-5-7-20-18-30(23-10-3-2-9-22(20)23)17-19-6-4-8-21(16-19)24(25,26)27/h2-4,6,8-10,16,18H,5,7,11-15,17H2,1H3.
What are the key properties of 3-[3-(4-methylpiperazin-1-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole?
3-[3-(4-methylpiperazin-1-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole has a molecular weight of 415.50 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpiperazin-1-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole is sourced from PubChem (CID 170864386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).