2,6-dichloro-N-[(E)-1H-indol-5-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ylidene]methyl]-N-methylaniline

C29H26Cl2F3N3 — CID 167256325

IUPAC2,6-dichloro-N-[(E)-1H-indol-5-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ylidene]methyl]-N-methylaniline
SMILESCN(/C(=C1\CCCN(Cc2ccccc2C(F)(F)F)C1)c1ccc2[nH]ccc2c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C29H26Cl2F3N3/c1-36(28-24(30)9-4-10-25(28)31)27(20-11-12-26-19(16-20)13-14-35-26)22-7-5-15-37(18-22)17-21-6-2-3-8-23(21)29(32,33)34/h2-4,6,8-14,16,35H,5,7,15,17-18H2,1H3/b27-22+
InChIKeyZWVBKPBWTMAAJS-HPNDGRJYSA-N
MW544.45 g/mol
LogP8.64
Rot. Bonds5

About 2,6-dichloro-N-[(E)-1H-indol-5-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ylidene]methyl]-N-methylaniline

2,6-dichloro-N-[(E)-1H-indol-5-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ylidene]methyl]-N-methylaniline (PubChem CID 167256325) has the molecular formula C29H26Cl2F3N3 and a molecular weight of 544.45 g/mol. Its IUPAC name is 2,6-dichloro-N-[(E)-1H-indol-5-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ylidene]methyl]-N-methylaniline.

Molecular Properties

Compound Name2,6-dichloro-N-[(E)-1H-indol-5-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ylidene]methyl]-N-methylaniline
PubChem CID167256325
Molecular FormulaC29H26Cl2F3N3
Molecular Weight544.45 g/mol
Exact Mass543.15
IUPAC Name2,6-dichloro-N-[(E)-1H-indol-5-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ylidene]methyl]-N-methylaniline
SMILESCN(/C(=C1\CCCN(Cc2ccccc2C(F)(F)F)C1)c1ccc2[nH]ccc2c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C29H26Cl2F3N3/c1-36(28-24(30)9-4-10-25(28)31)27(20-11-12-26-19(16-20)13-14-35-26)22-7-5-15-37(18-22)17-21-6-2-3-8-23(21)29(32,33)34/h2-4,6,8-14,16,35H,5,7,15,17-18H2,1H3/b27-22+
InChIKeyZWVBKPBWTMAAJS-HPNDGRJYSA-N
XLogP8.64
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.45
LogP ≤ 58.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-dichloro-N-[(E)-1H-indol-5-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ylidene]methyl]-N-methylaniline 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

2-(2,6-dichlorophenyl)-3-(1H-indol-5-yl)-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 146383006
3,12-bis[[2-(trifluoromethyl)phenyl]methyl]-3,7,12,18-tetrazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene
CID 10099430
1-(4-methoxyphenyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 55830213
N-(3-chloro-2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 3931119
N-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171336017
N,N-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 90269557
2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 24664906
1-[2-[1-(1H-indol-5-yl)ethenyl]phenyl]-N,N-dimethylmethanamine
CID 89110567
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 119909959
2-(2,3,4,5-tetrahydropyridin-6-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929894
2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60697098
2-methyl-4-[(3S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782802

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(E)-1H-indol-5-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ylidene]methyl]-N-methylaniline?
The IUPAC name of 2,6-dichloro-N-[(E)-1H-indol-5-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ylidene]methyl]-N-methylaniline (CID 167256325) is 2,6-dichloro-N-[(E)-1H-indol-5-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ylidene]methyl]-N-methylaniline.
What is the SMILES notation for 2,6-dichloro-N-[(E)-1H-indol-5-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ylidene]methyl]-N-methylaniline?
The canonical SMILES for 2,6-dichloro-N-[(E)-1H-indol-5-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ylidene]methyl]-N-methylaniline is CN(/C(=C1\CCCN(Cc2ccccc2C(F)(F)F)C1)c1ccc2[nH]ccc2c1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(E)-1H-indol-5-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ylidene]methyl]-N-methylaniline?
The InChIKey is ZWVBKPBWTMAAJS-HPNDGRJYSA-N. The full InChI is InChI=1S/C29H26Cl2F3N3/c1-36(28-24(30)9-4-10-25(28)31)27(20-11-12-26-19(16-20)13-14-35-26)22-7-5-15-37(18-22)17-21-6-2-3-8-23(21)29(32,33)34/h2-4,6,8-14,16,35H,5,7,15,17-18H2,1H3/b27-22+.
What are the key properties of 2,6-dichloro-N-[(E)-1H-indol-5-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ylidene]methyl]-N-methylaniline?
2,6-dichloro-N-[(E)-1H-indol-5-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ylidene]methyl]-N-methylaniline has a molecular weight of 544.45 g/mol, XLogP of 8.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(E)-1H-indol-5-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-ylidene]methyl]-N-methylaniline is sourced from PubChem (CID 167256325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).