N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide

C22H25F3N2O2S — CID 52785552

IUPACN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide
SMILESCOc1ccc(CN2CCC(CNC(=O)c3ccc(SC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C22H25F3N2O2S/c1-29-19-6-2-17(3-7-19)15-27-12-10-16(11-13-27)14-26-21(28)18-4-8-20(9-5-18)30-22(23,24)25/h2-9,16H,10-15H2,1H3,(H,26,28)
InChIKeyUUGALBJCAPVPLU-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.95
Rot. Bonds7

About N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide

N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 52785552) has the molecular formula C22H25F3N2O2S and a molecular weight of 438.52 g/mol. Its IUPAC name is N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide
PubChem CID52785552
Molecular FormulaC22H25F3N2O2S
Molecular Weight438.52 g/mol
Exact Mass438.16
IUPAC NameN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide
SMILESCOc1ccc(CN2CCC(CNC(=O)c3ccc(SC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C22H25F3N2O2S/c1-29-19-6-2-17(3-7-19)15-27-12-10-16(11-13-27)14-26-21(28)18-4-8-20(9-5-18)30-22(23,24)25/h2-9,16H,10-15H2,1H3,(H,26,28)
InChIKeyUUGALBJCAPVPLU-UHFFFAOYSA-N
XLogP4.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide 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

N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60600387
4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 94815305
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 100729262
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95041527
4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
3-hydroxy-N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95194185
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide
CID 58933474

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide (CID 52785552) is N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide is COc1ccc(CN2CCC(CNC(=O)c3ccc(SC(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is UUGALBJCAPVPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O2S/c1-29-19-6-2-17(3-7-19)15-27-12-10-16(11-13-27)14-26-21(28)18-4-8-20(9-5-18)30-22(23,24)25/h2-9,16H,10-15H2,1H3,(H,26,28).
What are the key properties of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide?
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 438.52 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 52785552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).