N-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide

C19H20F4N4O — CID 171337884

IUPACN-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccnc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C19H20F4N4O/c20-15-1-3-16(4-2-15)25-18(28)13-27-9-7-26(8-10-27)12-14-5-6-24-17(11-14)19(21,22)23/h1-6,11H,7-10,12-13H2,(H,25,28)
InChIKeyKKOOOEDOHDLCJD-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.00
Rot. Bonds5

About N-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide (PubChem CID 171337884) has the molecular formula C19H20F4N4O and a molecular weight of 396.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
PubChem CID171337884
Molecular FormulaC19H20F4N4O
Molecular Weight396.39 g/mol
Exact Mass396.16
IUPAC NameN-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccnc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C19H20F4N4O/c20-15-1-3-16(4-2-15)25-18(28)13-27-9-7-26(8-10-27)12-14-5-6-24-17(11-14)19(21,22)23/h1-6,11H,7-10,12-13H2,(H,25,28)
InChIKeyKKOOOEDOHDLCJD-UHFFFAOYSA-N
XLogP3.00
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
CID 171337888
N-(4-fluorophenyl)-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 166605769
2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 171337882
2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171701512
N-(3-chloro-2-methylphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
CID 171691034
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22195442
N-(4-ethylphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195926
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 991070
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 112801308
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9126457
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide (CID 171337884) is N-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2ccnc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide?
The InChIKey is KKOOOEDOHDLCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4O/c20-15-1-3-16(4-2-15)25-18(28)13-27-9-7-26(8-10-27)12-14-5-6-24-17(11-14)19(21,22)23/h1-6,11H,7-10,12-13H2,(H,25,28).
What are the key properties of N-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide has a molecular weight of 396.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 171337884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).