2-(4-fluorophenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide

C18H18F4N4O2 — CID 91892400

IUPAC2-(4-fluorophenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESO=C(COc1ccc(F)cc1)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H18F4N4O2/c19-12-1-3-14(4-2-12)28-10-17(27)25-13-5-7-26(8-6-13)16-9-15(18(20,21)22)23-11-24-16/h1-4,9,11,13H,5-8,10H2,(H,25,27)
InChIKeyZFZAXIXDXZRXRS-UHFFFAOYSA-N
MW398.36 g/mol
LogP2.80
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide

2-(4-fluorophenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 91892400) has the molecular formula C18H18F4N4O2 and a molecular weight of 398.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID91892400
Molecular FormulaC18H18F4N4O2
Molecular Weight398.36 g/mol
Exact Mass398.14
IUPAC Name2-(4-fluorophenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESO=C(COc1ccc(F)cc1)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H18F4N4O2/c19-12-1-3-14(4-2-12)28-10-17(27)25-13-5-7-26(8-6-13)16-9-15(18(20,21)22)23-11-24-16/h1-4,9,11,13H,5-8,10H2,(H,25,27)
InChIKeyZFZAXIXDXZRXRS-UHFFFAOYSA-N
XLogP2.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

R-1487
CID 11406590
6-(2,4-Difluorophenoxy)-8-ethyl-2-(tetrahydro-2h-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
CID 23434538
2-(1-Acetyl-piperidin-4-ylamino)-6-(2,4-difluorophenoxy)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 52936613
N-(2-morpholin-4-yl-ethyl)-N'-(4-trifluoromethoxy-phenyl)-pyrimidine-4,6-diamine
CID 5312285
1-(4-ethoxyphenyl)-3-ethyl-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea
CID 11675165
1-Pyrrolidinecarboxamide, N-[6-[2-fluoro-4-[[3-oxo-3-(phenylamino)-1-(trifluoromethyl)propyl]amino]phenoxy]-4-pyrimidinyl]-
CID 44177803
5-methyl-N4-(2-morpholinoethyl)-N6-(4-(trifluoromethoxy)phenyl)pyrimidine-4,6-diamine
CID 44194781
4-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
CID 44407308
2-[3-[[5-fluoro-4-[4-(trifluoromethoxy)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide
CID 118729108
N4-[(2,2-Difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine
CID 131704407
N-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methylpyrimidin-5-yl)oxyacetamide
CID 138671154
N-cyclohexyl-2-(4-fluorophenoxy)-N-2-pyridinylacetamide
CID 975732

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 91892400) is 2-(4-fluorophenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is O=C(COc1ccc(F)cc1)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is ZFZAXIXDXZRXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N4O2/c19-12-1-3-14(4-2-12)28-10-17(27)25-13-5-7-26(8-6-13)16-9-15(18(20,21)22)23-11-24-16/h1-4,9,11,13H,5-8,10H2,(H,25,27).
What are the key properties of 2-(4-fluorophenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
2-(4-fluorophenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 398.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 91892400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).