2-[3-fluoro-4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyphenyl]-N-(2-hydroxyethyl)acetamide

C20H25FN4O4 — CID 141105707

IUPAC2-[3-fluoro-4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyphenyl]-N-(2-hydroxyethyl)acetamide
SMILESCc1c(Oc2ccc(CC(=O)NCCO)cc2F)ncnc1OC1CCNCC1
InChIInChI=1S/C20H25FN4O4/c1-13-19(28-15-4-6-22-7-5-15)24-12-25-20(13)29-17-3-2-14(10-16(17)21)11-18(27)23-8-9-26/h2-3,10,12,15,22,26H,4-9,11H2,1H3,(H,23,27)
InChIKeyOCCWKYQYYUBFFZ-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.50
Rot. Bonds8

About 2-[3-fluoro-4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyphenyl]-N-(2-hydroxyethyl)acetamide

2-[3-fluoro-4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyphenyl]-N-(2-hydroxyethyl)acetamide (PubChem CID 141105707) has the molecular formula C20H25FN4O4 and a molecular weight of 404.44 g/mol. Its IUPAC name is 2-[3-fluoro-4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyphenyl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyphenyl]-N-(2-hydroxyethyl)acetamide
PubChem CID141105707
Molecular FormulaC20H25FN4O4
Molecular Weight404.44 g/mol
Exact Mass404.19
IUPAC Name2-[3-fluoro-4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyphenyl]-N-(2-hydroxyethyl)acetamide
SMILESCc1c(Oc2ccc(CC(=O)NCCO)cc2F)ncnc1OC1CCNCC1
InChIInChI=1S/C20H25FN4O4/c1-13-19(28-15-4-6-22-7-5-15)24-12-25-20(13)29-17-3-2-14(10-16(17)21)11-18(27)23-8-9-26/h2-3,10,12,15,22,26H,4-9,11H2,1H3,(H,23,27)
InChIKeyOCCWKYQYYUBFFZ-UHFFFAOYSA-N
XLogP1.50
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-fluoro-4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyphenyl]-N-(2-hydroxyethyl)acetamide with MolForge

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Related Compounds

2-[3-fluoro-4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxyphenyl]acetic acid
CID 68534963
5-methyl-4,6-di(piperidin-4-yloxy)pyrimidine
CID 58484436
4-[6-[2-fluoro-4-(2-methoxyethylcarbamoyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 141175577
propan-2-yl 4-[6-[2-fluoro-4-(2-propan-2-yloxyethylcarbamoyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856823
1-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 90832316
4-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methyl-6-piperidin-4-yloxypyrimidine
CID 141186091
propan-2-yl 4-[6-[2-fluoro-4-(2-pyrrolidin-1-ylethylcarbamoyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856705
4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine
CID 66327607
4-[2,5-difluoro-4-(2-methylsulfonylethyl)phenoxy]-5-methyl-6-piperidin-4-yloxypyrimidine;propan-2-yl formate
CID 160552206
propan-2-yl 4-[6-[2-fluoro-4-(methanesulfonamido)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11386126
propan-2-yl 4-[6-[2-fluoro-4-(2-propan-2-yloxyethoxy)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11191059
2-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 59856690

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyphenyl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[3-fluoro-4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyphenyl]-N-(2-hydroxyethyl)acetamide (CID 141105707) is 2-[3-fluoro-4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyphenyl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[3-fluoro-4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyphenyl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[3-fluoro-4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyphenyl]-N-(2-hydroxyethyl)acetamide is Cc1c(Oc2ccc(CC(=O)NCCO)cc2F)ncnc1OC1CCNCC1.
What is the InChIKey of 2-[3-fluoro-4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyphenyl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is OCCWKYQYYUBFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O4/c1-13-19(28-15-4-6-22-7-5-15)24-12-25-20(13)29-17-3-2-14(10-16(17)21)11-18(27)23-8-9-26/h2-3,10,12,15,22,26H,4-9,11H2,1H3,(H,23,27).
What are the key properties of 2-[3-fluoro-4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyphenyl]-N-(2-hydroxyethyl)acetamide?
2-[3-fluoro-4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyphenyl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 404.44 g/mol, XLogP of 1.50, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyphenyl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 141105707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).