2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide

C17H19FN4O2 — CID 53164713

IUPAC2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C17H19FN4O2/c18-13-4-6-15(7-5-13)24-12-16(23)21-14-10-19-17(20-11-14)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9,12H2,(H,21,23)
InChIKeyDJJCTULEBODLFL-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.62
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide

2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide (PubChem CID 53164713) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
PubChem CID53164713
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C17H19FN4O2/c18-13-4-6-15(7-5-13)24-12-16(23)21-14-10-19-17(20-11-14)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9,12H2,(H,21,23)
InChIKeyDJJCTULEBODLFL-UHFFFAOYSA-N
XLogP2.62
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122300013
2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298205
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122299107
2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992502
N-(4-fluorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 2204732
N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide
CID 53164766
2-(4-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164666
1-(3,5-difluorophenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298481
1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298472
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide
CID 71789958
2-(4-acetylphenoxy)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 55835649
2-(2-chloro-4-methoxyphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164705

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide (CID 53164713) is 2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide is O=C(COc1ccc(F)cc1)Nc1cnc(N2CCCCC2)nc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide?
The InChIKey is DJJCTULEBODLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-13-4-6-15(7-5-13)24-12-16(23)21-14-10-19-17(20-11-14)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9,12H2,(H,21,23).
What are the key properties of 2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide?
2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide has a molecular weight of 330.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 53164713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).