2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetamide

C21H24F3N3O — CID 163744689

IUPAC2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(CCc2ccc(N3CCNCC3)cc2C(F)(F)F)cc1
InChIInChI=1S/C21H24F3N3O/c22-21(23,24)19-14-18(27-11-9-26-10-12-27)8-7-17(19)6-5-15-1-3-16(4-2-15)13-20(25)28/h1-4,7-8,14,26H,5-6,9-13H2,(H2,25,28)
InChIKeyLKUREUXRIPMDMT-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.93
Rot. Bonds6

About 2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetamide

2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetamide (PubChem CID 163744689) has the molecular formula C21H24F3N3O and a molecular weight of 391.44 g/mol. Its IUPAC name is 2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetamide
PubChem CID163744689
Molecular FormulaC21H24F3N3O
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC Name2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(CCc2ccc(N3CCNCC3)cc2C(F)(F)F)cc1
InChIInChI=1S/C21H24F3N3O/c22-21(23,24)19-14-18(27-11-9-26-10-12-27)8-7-17(19)6-5-15-1-3-16(4-2-15)13-20(25)28/h1-4,7-8,14,26H,5-6,9-13H2,(H2,25,28)
InChIKeyLKUREUXRIPMDMT-UHFFFAOYSA-N
XLogP2.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67030804
1-[4-[4-(2-phenylethyl)-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 175267293
4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)benzamide
CID 43138481
1-[4-bromo-3-(trifluoromethyl)phenyl]piperazine
CID 56984078
2-[2-[2-[2-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;methane;2-[2-[2-[2-[(4-piperazin-1-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
CID 161098678
2-[4-[2-(5-piperazin-1-ylthiophen-2-yl)ethyl]phenyl]acetohydrazide;trihydrochloride
CID 67030022
2-[3,4-bis(trifluoromethyl)phenyl]acetamide
CID 87509957
4-piperazin-1-yl-2-(trifluoromethyl)benzonitrile;hydrochloride
CID 11403582
tert-butyl formate;2-(4-piperazin-1-ylphenyl)ethanamine
CID 174927711
(3R)-1-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 151249599
[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 43320822
2-(hydroxymethyl)-5-piperazin-1-ylphenol
CID 84780243

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetamide?
The IUPAC name of 2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetamide (CID 163744689) is 2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetamide is NC(=O)Cc1ccc(CCc2ccc(N3CCNCC3)cc2C(F)(F)F)cc1.
What is the InChIKey of 2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetamide?
The InChIKey is LKUREUXRIPMDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O/c22-21(23,24)19-14-18(27-11-9-26-10-12-27)8-7-17(19)6-5-15-1-3-16(4-2-15)13-20(25)28/h1-4,7-8,14,26H,5-6,9-13H2,(H2,25,28).
What are the key properties of 2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetamide?
2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetamide has a molecular weight of 391.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetamide is sourced from PubChem (CID 163744689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).