2-(3-methylphenyl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide

C24H30F3N3O — CID 144622823

IUPAC2-(3-methylphenyl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
SMILESCCCN1CCN(Cc2ccc(NC(=O)Cc3cccc(C)c3)cc2C(F)(F)F)CC1
InChIInChI=1S/C24H30F3N3O/c1-3-9-29-10-12-30(13-11-29)17-20-7-8-21(16-22(20)24(25,26)27)28-23(31)15-19-6-4-5-18(2)14-19/h4-8,14,16H,3,9-13,15,17H2,1-2H3,(H,28,31)
InChIKeyAUWLGZXMGWLIST-UHFFFAOYSA-N
MW433.52 g/mol
LogP4.72
Rot. Bonds7

About 2-(3-methylphenyl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide

2-(3-methylphenyl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 144622823) has the molecular formula C24H30F3N3O and a molecular weight of 433.52 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
PubChem CID144622823
Molecular FormulaC24H30F3N3O
Molecular Weight433.52 g/mol
Exact Mass433.23
IUPAC Name2-(3-methylphenyl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
SMILESCCCN1CCN(Cc2ccc(NC(=O)Cc3cccc(C)c3)cc2C(F)(F)F)CC1
InChIInChI=1S/C24H30F3N3O/c1-3-9-29-10-12-30(13-11-29)17-20-7-8-21(16-22(20)24(25,26)27)28-23(31)15-19-6-4-5-18(2)14-19/h4-8,14,16H,3,9-13,15,17H2,1-2H3,(H,28,31)
InChIKeyAUWLGZXMGWLIST-UHFFFAOYSA-N
XLogP4.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(3-methylphenyl)acetamide
CID 144745028
2-[4-[[4-[[2-(3-iodophenyl)acetyl]amino]-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl acetate
CID 90133857
N-methoxy-4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline
CID 162434874
N-[3-[(4-ethylpiperazin-1-yl)methyl]-4-(trifluoromethyl)phenyl]-2-(3-iodophenyl)acetamide
CID 118451883
2,4-dimethyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 146013682
2-(3-bromo-4-fluorophenyl)-N-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
CID 118452108
2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 6469987
N-(3-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695688
2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108933173
2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide
CID 112979742
2-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanol
CID 71136901
N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[(3Z)-penta-1,3-dien-2-yl]oxyacetamide
CID 162594014

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide (CID 144622823) is 2-(3-methylphenyl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide is CCCN1CCN(Cc2ccc(NC(=O)Cc3cccc(C)c3)cc2C(F)(F)F)CC1.
What is the InChIKey of 2-(3-methylphenyl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AUWLGZXMGWLIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O/c1-3-9-29-10-12-30(13-11-29)17-20-7-8-21(16-22(20)24(25,26)27)28-23(31)15-19-6-4-5-18(2)14-19/h4-8,14,16H,3,9-13,15,17H2,1-2H3,(H,28,31).
What are the key properties of 2-(3-methylphenyl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
2-(3-methylphenyl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 433.52 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 144622823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).