4-[1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one

C21H20FN5O2 — CID 136881426

IUPAC4-[1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one
SMILESO=C(Cc1ccccc1F)N1CCCC(c2cc(=O)[nH]c(-c3cnccn3)n2)C1
InChIInChI=1S/C21H20FN5O2/c22-16-6-2-1-4-14(16)10-20(29)27-9-3-5-15(13-27)17-11-19(28)26-21(25-17)18-12-23-7-8-24-18/h1-2,4,6-8,11-12,15H,3,5,9-10,13H2,(H,25,26,28)
InChIKeyPSUYMXSHHCKVDC-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.31
Rot. Bonds4

About 4-[1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one

4-[1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one (PubChem CID 136881426) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 4-[1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one
PubChem CID136881426
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name4-[1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one
SMILESO=C(Cc1ccccc1F)N1CCCC(c2cc(=O)[nH]c(-c3cnccn3)n2)C1
InChIInChI=1S/C21H20FN5O2/c22-16-6-2-1-4-14(16)10-20(29)27-9-3-5-15(13-27)17-11-19(28)26-21(25-17)18-12-23-7-8-24-18/h1-2,4,6-8,11-12,15H,3,5,9-10,13H2,(H,25,26,28)
InChIKeyPSUYMXSHHCKVDC-UHFFFAOYSA-N
XLogP2.31
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136765709
2-pyrazin-2-yl-4-[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136881384
4-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136858529
2-(2-fluorophenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92610466
1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110239994
4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136673578
2-(2-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 110103994
4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765806
2-[1-[3-(2-fluorophenyl)propanoyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881215
4-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136858546
4-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136858527
1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 110249442

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one (CID 136881426) is 4-[1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one is O=C(Cc1ccccc1F)N1CCCC(c2cc(=O)[nH]c(-c3cnccn3)n2)C1.
What is the InChIKey of 4-[1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one?
The InChIKey is PSUYMXSHHCKVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-16-6-2-1-4-14(16)10-20(29)27-9-3-5-15(13-27)17-11-19(28)26-21(25-17)18-12-23-7-8-24-18/h1-2,4,6-8,11-12,15H,3,5,9-10,13H2,(H,25,26,28).
What are the key properties of 4-[1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one?
4-[1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one has a molecular weight of 393.42 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136881426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).