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

C19H20F4N4O3 — CID 118958437

IUPACN-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1(O)CCN(c2nc(Oc3cccc(F)c3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C19H20F4N4O3/c1-12(28)24-11-18(29)5-7-27(8-6-18)17-25-15(19(21,22)23)10-16(26-17)30-14-4-2-3-13(20)9-14/h2-4,9-10,29H,5-8,11H2,1H3,(H,24,28)
InChIKeyGPGZINSBRVVZIC-UHFFFAOYSA-N
MW428.39 g/mol
LogP2.89
Rot. Bonds5

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

N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide (PubChem CID 118958437) has the molecular formula C19H20F4N4O3 and a molecular weight of 428.39 g/mol. Its IUPAC name is N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide
PubChem CID118958437
Molecular FormulaC19H20F4N4O3
Molecular Weight428.39 g/mol
Exact Mass428.15
IUPAC NameN-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1(O)CCN(c2nc(Oc3cccc(F)c3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C19H20F4N4O3/c1-12(28)24-11-18(29)5-7-27(8-6-18)17-25-15(19(21,22)23)10-16(26-17)30-14-4-2-3-13(20)9-14/h2-4,9-10,29H,5-8,11H2,1H3,(H,24,28)
InChIKeyGPGZINSBRVVZIC-UHFFFAOYSA-N
XLogP2.89
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Ethoxy-6-methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (2-ethoxy-phenyl)-amide
CID 644972
1-(4-ethoxy-6-methyl-2-pyrimidinyl)-N-(2-fluorobenzyl)-3-piperidinecarboxamide
CID 650993
3-[[2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]-N-(2-phenoxyethyl)propanamide;2,2,2-trifluoroacetic acid
CID 44527986
3-[[6-methyl-2-(2-phenoxyethylamino)pyrimidin-4-yl]amino]-N-(2-phenoxyethyl)propanamide;2,2,2-trifluoroacetic acid
CID 44528010
1-[4-[6-[(2-Hydroxy-2-methylpropyl)amino]pyrimidin-4-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 164612359
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-phenoxypiperidine-1-carboxamide
CID 117869944
US9920053, Example 23
CID 118958205
US9920053, Example 11
CID 118958207
US9920053, Example 35
CID 118958271
US9920053, Example 33
CID 118958401
US9920053, Example 7
CID 118958406
US9920053, Example 22
CID 118958417

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide (CID 118958437) is N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide is CC(=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]acetamide?
The InChIKey is GPGZINSBRVVZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4O3/c1-12(28)24-11-18(29)5-7-27(8-6-18)17-25-15(19(21,22)23)10-16(26-17)30-14-4-2-3-13(20)9-14/h2-4,9-10,29H,5-8,11H2,1H3,(H,24,28).
What are the key properties of N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide?
N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide has a molecular weight of 428.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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]acetamide is sourced from PubChem (CID 118958437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).