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

C22H24F4N4O3 — CID 118958417

IUPAC2-cyclopropyl-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide
SMILESO=C(CC1CC1)NCC1(O)CCN(c2nc(Oc3cccc(F)c3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C22H24F4N4O3/c23-15-2-1-3-16(11-15)33-19-12-17(22(24,25)26)28-20(29-19)30-8-6-21(32,7-9-30)13-27-18(31)10-14-4-5-14/h1-3,11-12,14,32H,4-10,13H2,(H,27,31)
InChIKeyTWCQYNMGGXBODD-UHFFFAOYSA-N
MW468.45 g/mol
LogP3.67
Rot. Bonds7

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

2-cyclopropyl-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide (PubChem CID 118958417) has the molecular formula C22H24F4N4O3 and a molecular weight of 468.45 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide
PubChem CID118958417
Molecular FormulaC22H24F4N4O3
Molecular Weight468.45 g/mol
Exact Mass468.18
IUPAC Name2-cyclopropyl-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide
SMILESO=C(CC1CC1)NCC1(O)CCN(c2nc(Oc3cccc(F)c3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C22H24F4N4O3/c23-15-2-1-3-16(11-15)33-19-12-17(22(24,25)26)28-20(29-19)30-8-6-21(32,7-9-30)13-27-18(31)10-14-4-5-14/h1-3,11-12,14,32H,4-10,13H2,(H,27,31)
InChIKeyTWCQYNMGGXBODD-UHFFFAOYSA-N
XLogP3.67
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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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
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 39
CID 118958421
US9920053, Example 20
CID 118958436
US9920053, Example 24
CID 118958437
US9920053, Example 34
CID 118958438
US9920053, Example 5
CID 118958439

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide (CID 118958417) is 2-cyclopropyl-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide is O=C(CC1CC1)NCC1(O)CCN(c2nc(Oc3cccc(F)c3)cc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-cyclopropyl-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide?
The InChIKey is TWCQYNMGGXBODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N4O3/c23-15-2-1-3-16(11-15)33-19-12-17(22(24,25)26)28-20(29-19)30-8-6-21(32,7-9-30)13-27-18(31)10-14-4-5-14/h1-3,11-12,14,32H,4-10,13H2,(H,27,31).
What are the key properties of 2-cyclopropyl-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide?
2-cyclopropyl-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide has a molecular weight of 468.45 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 118958417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).