N,N-dimethyl-4-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide

C23H27F3N4O2 — CID 39948967

IUPACN,N-dimethyl-4-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C23H27F3N4O2/c1-28(2)22(32)18-6-8-20(9-7-18)27-21(31)16-30-12-10-29(11-13-30)15-17-4-3-5-19(14-17)23(24,25)26/h3-9,14H,10-13,15-16H2,1-2H3,(H,27,31)
InChIKeyDDWVZDPPGWZKMH-UHFFFAOYSA-N
MW448.49 g/mol
LogP3.16
Rot. Bonds6

About N,N-dimethyl-4-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide

N,N-dimethyl-4-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 39948967) has the molecular formula C23H27F3N4O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide
PubChem CID39948967
Molecular FormulaC23H27F3N4O2
Molecular Weight448.49 g/mol
Exact Mass448.21
IUPAC NameN,N-dimethyl-4-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C23H27F3N4O2/c1-28(2)22(32)18-6-8-20(9-7-18)27-21(31)16-30-12-10-29(11-13-30)15-17-4-3-5-19(14-17)23(24,25)26/h3-9,14H,10-13,15-16H2,1-2H3,(H,27,31)
InChIKeyDDWVZDPPGWZKMH-UHFFFAOYSA-N
XLogP3.16
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 30668935
N-ethyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]acetamide
CID 8861904
N-(2-methylbutan-2-yl)-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 18088722
4-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 8904118
N-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride
CID 171700191
N-(2-cyanoethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 34706072
N,N-dimethyl-4-[[2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetyl]amino]benzamide
CID 26653235
4-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 8582749
N-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 8597810
2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171701512
2-(4-benzyl-1,4-diazepan-1-yl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 16608496
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 37141496

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide (CID 39948967) is N,N-dimethyl-4-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide is CN(C)C(=O)c1ccc(NC(=O)CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is DDWVZDPPGWZKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O2/c1-28(2)22(32)18-6-8-20(9-7-18)27-21(31)16-30-12-10-29(11-13-30)15-17-4-3-5-19(14-17)23(24,25)26/h3-9,14H,10-13,15-16H2,1-2H3,(H,27,31).
What are the key properties of N,N-dimethyl-4-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide?
N,N-dimethyl-4-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 448.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 39948967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).