3-[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]propanamide

C19H20F4N4O3 — CID 175935652

IUPAC3-[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]propanamide
SMILESNC(=O)CCC1(O)CCN(c2nc(Oc3cccc(F)c3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C19H20F4N4O3/c20-12-2-1-3-13(10-12)30-16-11-14(19(21,22)23)25-17(26-16)27-8-6-18(29,7-9-27)5-4-15(24)28/h1-3,10-11,29H,4-9H2,(H2,24,28)
InChIKeySQIASBCFIZCQLK-UHFFFAOYSA-N
MW428.39 g/mol
LogP3.02
Rot. Bonds6

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

3-[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]propanamide (PubChem CID 175935652) has the molecular formula C19H20F4N4O3 and a molecular weight of 428.39 g/mol. Its IUPAC name is 3-[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]propanamide
PubChem CID175935652
Molecular FormulaC19H20F4N4O3
Molecular Weight428.39 g/mol
Exact Mass428.15
IUPAC Name3-[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]propanamide
SMILESNC(=O)CCC1(O)CCN(c2nc(Oc3cccc(F)c3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C19H20F4N4O3/c20-12-2-1-3-13(10-12)30-16-11-14(19(21,22)23)25-17(26-16)27-8-6-18(29,7-9-27)5-4-15(24)28/h1-3,10-11,29H,4-9H2,(H2,24,28)
InChIKeySQIASBCFIZCQLK-UHFFFAOYSA-N
XLogP3.02
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 118958205
CID 118958205
CID 118958207
CID 118958207
CID 118958271
CID 118958271
CID 118958401
CID 118958401
CID 118958406
CID 118958406
CID 118958417
CID 118958417
CID 118958421
CID 118958421
CID 118958436
CID 118958436
CID 118958437
CID 118958437
CID 118958438
CID 118958438
CID 118958439
CID 118958439
CID 118958475
CID 118958475

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]propanamide?
The IUPAC name of 3-[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]propanamide (CID 175935652) is 3-[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]propanamide.
What is the SMILES notation for 3-[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]propanamide?
The canonical SMILES for 3-[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]propanamide is NC(=O)CCC1(O)CCN(c2nc(Oc3cccc(F)c3)cc(C(F)(F)F)n2)CC1.
What is the InChIKey of 3-[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]propanamide?
The InChIKey is SQIASBCFIZCQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4O3/c20-12-2-1-3-13(10-12)30-16-11-14(19(21,22)23)25-17(26-16)27-8-6-18(29,7-9-27)5-4-15(24)28/h1-3,10-11,29H,4-9H2,(H2,24,28).
What are the key properties of 3-[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]propanamide?
3-[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]propanamide has a molecular weight of 428.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]propanamide is sourced from PubChem (CID 175935652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).