2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-(3-methylpiperidin-1-yl)ethanone

C19H22FN3O2 — CID 53136933

IUPAC2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-(3-methylpiperidin-1-yl)ethanone
SMILESCc1cc(OCC(=O)N2CCCC(C)C2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H22FN3O2/c1-13-4-3-9-23(11-13)18(24)12-25-17-10-14(2)21-19(22-17)15-5-7-16(20)8-6-15/h5-8,10,13H,3-4,9,11-12H2,1-2H3
InChIKeyFOAFCWDCJKLUHF-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.23
Rot. Bonds4

About 2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-(3-methylpiperidin-1-yl)ethanone

2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 53136933) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID53136933
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-(3-methylpiperidin-1-yl)ethanone
SMILESCc1cc(OCC(=O)N2CCCC(C)C2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H22FN3O2/c1-13-4-3-9-23(11-13)18(24)12-25-17-10-14(2)21-19(22-17)15-5-7-16(20)8-6-15/h5-8,10,13H,3-4,9,11-12H2,1-2H3
InChIKeyFOAFCWDCJKLUHF-UHFFFAOYSA-N
XLogP3.23
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-(3-methylpiperidin-1-yl)ethanone (CID 53136933) is 2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-(3-methylpiperidin-1-yl)ethanone is Cc1cc(OCC(=O)N2CCCC(C)C2)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is FOAFCWDCJKLUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13-4-3-9-23(11-13)18(24)12-25-17-10-14(2)21-19(22-17)15-5-7-16(20)8-6-15/h5-8,10,13H,3-4,9,11-12H2,1-2H3.
What are the key properties of 2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-(3-methylpiperidin-1-yl)ethanone?
2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 343.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 53136933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).