2-[4-(4-fluoro-2-pyrimidin-4-ylphenoxy)piperidin-1-yl]-N-methylacetamide

C18H21FN4O2 — CID 139383917

IUPAC2-[4-(4-fluoro-2-pyrimidin-4-ylphenoxy)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(Oc2ccc(F)cc2-c2ccncn2)CC1
InChIInChI=1S/C18H21FN4O2/c1-20-18(24)11-23-8-5-14(6-9-23)25-17-3-2-13(19)10-15(17)16-4-7-21-12-22-16/h2-4,7,10,12,14H,5-6,8-9,11H2,1H3,(H,20,24)
InChIKeyLMGURWGWRIDOJG-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.87
Rot. Bonds5

About 2-[4-(4-fluoro-2-pyrimidin-4-ylphenoxy)piperidin-1-yl]-N-methylacetamide

2-[4-(4-fluoro-2-pyrimidin-4-ylphenoxy)piperidin-1-yl]-N-methylacetamide (PubChem CID 139383917) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[4-(4-fluoro-2-pyrimidin-4-ylphenoxy)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(4-fluoro-2-pyrimidin-4-ylphenoxy)piperidin-1-yl]-N-methylacetamide
PubChem CID139383917
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-[4-(4-fluoro-2-pyrimidin-4-ylphenoxy)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(Oc2ccc(F)cc2-c2ccncn2)CC1
InChIInChI=1S/C18H21FN4O2/c1-20-18(24)11-23-8-5-14(6-9-23)25-17-3-2-13(19)10-15(17)16-4-7-21-12-22-16/h2-4,7,10,12,14H,5-6,8-9,11H2,1H3,(H,20,24)
InChIKeyLMGURWGWRIDOJG-UHFFFAOYSA-N
XLogP1.87
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-fluoro-2-pyrimidin-4-ylphenoxy)piperidin-1-yl]-N-methylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-5-fluorophenyl]pyrimidine
CID 118675923
N-methyl-2-(3-pyrimidin-4-yloxypyrrolidin-1-yl)acetamide
CID 175996465
4-(5-fluoro-2-methoxyphenyl)pyrimidine
CID 141365926
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide
CID 59509149
4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-4-fluorophenyl]pyrimidine
CID 118676072
methyl 4-fluoro-2-pyrimidin-4-ylbenzoate
CID 155344019
2-[4-[4-(4-ethyl-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypiperidin-1-yl]-N-methylacetamide
CID 123232273
2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-quinolin-6-ylacetamide
CID 46980899
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 138998762
3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-pyrimidin-4-ylphenol
CID 139384078
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-methylacetamide
CID 163357267
N-(2,4-difluorophenyl)-2-(4-methoxypiperidin-1-yl)acetamide
CID 47131519

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-2-pyrimidin-4-ylphenoxy)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(4-fluoro-2-pyrimidin-4-ylphenoxy)piperidin-1-yl]-N-methylacetamide (CID 139383917) is 2-[4-(4-fluoro-2-pyrimidin-4-ylphenoxy)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(4-fluoro-2-pyrimidin-4-ylphenoxy)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(4-fluoro-2-pyrimidin-4-ylphenoxy)piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(Oc2ccc(F)cc2-c2ccncn2)CC1.
What is the InChIKey of 2-[4-(4-fluoro-2-pyrimidin-4-ylphenoxy)piperidin-1-yl]-N-methylacetamide?
The InChIKey is LMGURWGWRIDOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-20-18(24)11-23-8-5-14(6-9-23)25-17-3-2-13(19)10-15(17)16-4-7-21-12-22-16/h2-4,7,10,12,14H,5-6,8-9,11H2,1H3,(H,20,24).
What are the key properties of 2-[4-(4-fluoro-2-pyrimidin-4-ylphenoxy)piperidin-1-yl]-N-methylacetamide?
2-[4-(4-fluoro-2-pyrimidin-4-ylphenoxy)piperidin-1-yl]-N-methylacetamide has a molecular weight of 344.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-2-pyrimidin-4-ylphenoxy)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 139383917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).