2-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one

C21H19FN4O2 — CID 136816122

IUPAC2-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
SMILESO=C(c1ccccc1F)N1CCC(c2nc(-c3cccnc3)cc(=O)[nH]2)CC1
InChIInChI=1S/C21H19FN4O2/c22-17-6-2-1-5-16(17)21(28)26-10-7-14(8-11-26)20-24-18(12-19(27)25-20)15-4-3-9-23-13-15/h1-6,9,12-14H,7-8,10-11H2,(H,24,25,27)
InChIKeyJMYKUXHJFMFMIT-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.99
Rot. Bonds3

About 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one

2-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one (PubChem CID 136816122) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
PubChem CID136816122
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name2-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
SMILESO=C(c1ccccc1F)N1CCC(c2nc(-c3cccnc3)cc(=O)[nH]2)CC1
InChIInChI=1S/C21H19FN4O2/c22-17-6-2-1-5-16(17)21(28)26-10-7-14(8-11-26)20-24-18(12-19(27)25-20)15-4-3-9-23-13-15/h1-6,9,12-14H,7-8,10-11H2,(H,24,25,27)
InChIKeyJMYKUXHJFMFMIT-UHFFFAOYSA-N
XLogP2.99
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136681608
2-[(3R)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136869687
2-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one
CID 136881857
2-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136764031
2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136816133
2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136764080
2-[(3S)-1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136763974
2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136681607
2-[(3S)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136673800
2-[(3S)-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136763573
2-[(3R)-1-[2-(4-methylsulfonylphenyl)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136850813
2-[(3S)-1-[2-(2,6-dimethoxyphenoxy)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136850440

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one (CID 136816122) is 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one is O=C(c1ccccc1F)N1CCC(c2nc(-c3cccnc3)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one?
The InChIKey is JMYKUXHJFMFMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-17-6-2-1-5-16(17)21(28)26-10-7-14(8-11-26)20-24-18(12-19(27)25-20)15-4-3-9-23-13-15/h1-6,9,12-14H,7-8,10-11H2,(H,24,25,27).
What are the key properties of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one?
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one has a molecular weight of 378.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136816122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).