2-(4-tert-butylphenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone

C21H26FN3O2 — CID 122267235

IUPAC2-(4-tert-butylphenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
SMILESCC(C)(C)c1ccc(CC(=O)N2CCCC(Oc3ncc(F)cn3)C2)cc1
InChIInChI=1S/C21H26FN3O2/c1-21(2,3)16-8-6-15(7-9-16)11-19(26)25-10-4-5-18(14-25)27-20-23-12-17(22)13-24-20/h6-9,12-13,18H,4-5,10-11,14H2,1-3H3
InChIKeyOQCVSJDASBMKHK-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.53
Rot. Bonds4

About 2-(4-tert-butylphenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone

2-(4-tert-butylphenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone (PubChem CID 122267235) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
PubChem CID122267235
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name2-(4-tert-butylphenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
SMILESCC(C)(C)c1ccc(CC(=O)N2CCCC(Oc3ncc(F)cn3)C2)cc1
InChIInChI=1S/C21H26FN3O2/c1-21(2,3)16-8-6-15(7-9-16)11-19(26)25-10-4-5-18(14-25)27-20-23-12-17(22)13-24-20/h6-9,12-13,18H,4-5,10-11,14H2,1-3H3
InChIKeyOQCVSJDASBMKHK-UHFFFAOYSA-N
XLogP3.53
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122258510
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 122268069
1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one
CID 122258285
2-cyclohexyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122258293
3-(3-chloro-4-fluorophenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]propan-1-one
CID 122267241
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 122268139
3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 122258593
1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 139023328
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone
CID 122258311
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 122268217
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122160225
(E)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 122258555

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone?
The IUPAC name of 2-(4-tert-butylphenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone (CID 122267235) is 2-(4-tert-butylphenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone is CC(C)(C)c1ccc(CC(=O)N2CCCC(Oc3ncc(F)cn3)C2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone?
The InChIKey is OQCVSJDASBMKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-21(2,3)16-8-6-15(7-9-16)11-19(26)25-10-4-5-18(14-25)27-20-23-12-17(22)13-24-20/h6-9,12-13,18H,4-5,10-11,14H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone?
2-(4-tert-butylphenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone has a molecular weight of 371.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 122267235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).