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

C19H21F4N5O3 — CID 118958475

IUPAC2-amino-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide
SMILESNCC(=O)NCC1(O)CCN(c2nc(Oc3cccc(F)c3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C19H21F4N5O3/c20-12-2-1-3-13(8-12)31-16-9-14(19(21,22)23)26-17(27-16)28-6-4-18(30,5-7-28)11-25-15(29)10-24/h1-3,8-9,30H,4-7,10-11,24H2,(H,25,29)
InChIKeyZOFRLWVABVATNM-UHFFFAOYSA-N
MW443.40 g/mol
LogP1.83
Rot. Bonds6

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

2-amino-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide (PubChem CID 118958475) has the molecular formula C19H21F4N5O3 and a molecular weight of 443.40 g/mol. Its IUPAC name is 2-amino-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide
PubChem CID118958475
Molecular FormulaC19H21F4N5O3
Molecular Weight443.40 g/mol
Exact Mass443.16
IUPAC Name2-amino-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide
SMILESNCC(=O)NCC1(O)CCN(c2nc(Oc3cccc(F)c3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C19H21F4N5O3/c20-12-2-1-3-13(8-12)31-16-9-14(19(21,22)23)26-17(27-16)28-6-4-18(30,5-7-28)11-25-15(29)10-24/h1-3,8-9,30H,4-7,10-11,24H2,(H,25,29)
InChIKeyZOFRLWVABVATNM-UHFFFAOYSA-N
XLogP1.83
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide (CID 118958475) is 2-amino-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide is NCC(=O)NCC1(O)CCN(c2nc(Oc3cccc(F)c3)cc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-amino-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide?
The InChIKey is ZOFRLWVABVATNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F4N5O3/c20-12-2-1-3-13(8-12)31-16-9-14(19(21,22)23)26-17(27-16)28-6-4-18(30,5-7-28)11-25-15(29)10-24/h1-3,8-9,30H,4-7,10-11,24H2,(H,25,29).
What are the key properties of 2-amino-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide?
2-amino-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide has a molecular weight of 443.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-4-hydroxypiperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 118958475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).