N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]-2-propan-2-yloxyacetamide

C22H26F4N4O4 — CID 118958205

IUPACN-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCC1(O)CCN(c2nc(Oc3cccc(F)c3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C22H26F4N4O4/c1-14(2)33-12-18(31)27-13-21(32)6-8-30(9-7-21)20-28-17(22(24,25)26)11-19(29-20)34-16-5-3-4-15(23)10-16/h3-5,10-11,14,32H,6-9,12-13H2,1-2H3,(H,27,31)
InChIKeyVOEAYLFLOASGDM-UHFFFAOYSA-N
MW486.47 g/mol
LogP3.30
Rot. Bonds8

About N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]-2-propan-2-yloxyacetamide

N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]-2-propan-2-yloxyacetamide (PubChem CID 118958205) has the molecular formula C22H26F4N4O4 and a molecular weight of 486.47 g/mol. Its IUPAC name is N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]-2-propan-2-yloxyacetamide
PubChem CID118958205
Molecular FormulaC22H26F4N4O4
Molecular Weight486.47 g/mol
Exact Mass486.19
IUPAC NameN-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCC1(O)CCN(c2nc(Oc3cccc(F)c3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C22H26F4N4O4/c1-14(2)33-12-18(31)27-13-21(32)6-8-30(9-7-21)20-28-17(22(24,25)26)11-19(29-20)34-16-5-3-4-15(23)10-16/h3-5,10-11,14,32H,6-9,12-13H2,1-2H3,(H,27,31)
InChIKeyVOEAYLFLOASGDM-UHFFFAOYSA-N
XLogP3.30
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]-2-propan-2-yloxyacetamide (CID 118958205) is N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NCC1(O)CCN(c2nc(Oc3cccc(F)c3)cc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]-2-propan-2-yloxyacetamide?
The InChIKey is VOEAYLFLOASGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F4N4O4/c1-14(2)33-12-18(31)27-13-21(32)6-8-30(9-7-21)20-28-17(22(24,25)26)11-19(29-20)34-16-5-3-4-15(23)10-16/h3-5,10-11,14,32H,6-9,12-13H2,1-2H3,(H,27,31).
What are the key properties of N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]-2-propan-2-yloxyacetamide?
N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]-2-propan-2-yloxyacetamide has a molecular weight of 486.47 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 118958205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).