N-(2-fluorophenyl)-2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide

C22H27FN4O3 — CID 110083343

IUPACN-(2-fluorophenyl)-2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
SMILESCOCC(=O)N1CCCC(c2nc(C)c(CC(=O)Nc3ccccc3F)c(C)n2)C1
InChIInChI=1S/C22H27FN4O3/c1-14-17(11-20(28)26-19-9-5-4-8-18(19)23)15(2)25-22(24-14)16-7-6-10-27(12-16)21(29)13-30-3/h4-5,8-9,16H,6-7,10-13H2,1-3H3,(H,26,28)
InChIKeyYEQKZCOCIZHPFI-UHFFFAOYSA-N
MW414.48 g/mol
LogP2.77
Rot. Bonds6

About N-(2-fluorophenyl)-2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide

N-(2-fluorophenyl)-2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide (PubChem CID 110083343) has the molecular formula C22H27FN4O3 and a molecular weight of 414.48 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
PubChem CID110083343
Molecular FormulaC22H27FN4O3
Molecular Weight414.48 g/mol
Exact Mass414.21
IUPAC NameN-(2-fluorophenyl)-2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
SMILESCOCC(=O)N1CCCC(c2nc(C)c(CC(=O)Nc3ccccc3F)c(C)n2)C1
InChIInChI=1S/C22H27FN4O3/c1-14-17(11-20(28)26-19-9-5-4-8-18(19)23)15(2)25-22(24-14)16-7-6-10-27(12-16)21(29)13-30-3/h4-5,8-9,16H,6-7,10-13H2,1-3H3,(H,26,28)
InChIKeyYEQKZCOCIZHPFI-UHFFFAOYSA-N
XLogP2.77
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4,6-dimethyl-2-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 124993117
2-[2-[(3R)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 125009020
2-[2-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 125022057
2-[4,6-dimethyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 124957751
N-(2-fluorophenyl)-4-methyl-2-[(3S)-1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 95806054
1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-methoxyethanone
CID 110249542
2-[4,6-dimethyl-2-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidin-5-yl]acetamide
CID 110083309
2-[4,6-dimethyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide
CID 110083293
N-cyclopropyl-2-[4,6-dimethyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidin-5-yl]acetamide
CID 110083297
N-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 125021463
2-[2-[1-(2-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
CID 110083315
2-[4,6-dimethyl-2-[(3R)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 125011438

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide (CID 110083343) is N-(2-fluorophenyl)-2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide is COCC(=O)N1CCCC(c2nc(C)c(CC(=O)Nc3ccccc3F)c(C)n2)C1.
What is the InChIKey of N-(2-fluorophenyl)-2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
The InChIKey is YEQKZCOCIZHPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3/c1-14-17(11-20(28)26-19-9-5-4-8-18(19)23)15(2)25-22(24-14)16-7-6-10-27(12-16)21(29)13-30-3/h4-5,8-9,16H,6-7,10-13H2,1-3H3,(H,26,28).
What are the key properties of N-(2-fluorophenyl)-2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
N-(2-fluorophenyl)-2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide has a molecular weight of 414.48 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide is sourced from PubChem (CID 110083343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).