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

C21H19FN4O2 — CID 135963222

IUPAC4-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(c1cccc(F)c1)N1CCC(c2cc(=O)[nH]c(-c3ccccn3)n2)CC1
InChIInChI=1S/C21H19FN4O2/c22-16-5-3-4-15(12-16)21(28)26-10-7-14(8-11-26)18-13-19(27)25-20(24-18)17-6-1-2-9-23-17/h1-6,9,12-14H,7-8,10-11H2,(H,24,25,27)
InChIKeyMCLSVZLWUJPJMR-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.99
Rot. Bonds3

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

4-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 135963222) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID135963222
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name4-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(c1cccc(F)c1)N1CCC(c2cc(=O)[nH]c(-c3ccccn3)n2)CC1
InChIInChI=1S/C21H19FN4O2/c22-16-5-3-4-15(12-16)21(28)26-10-7-14(8-11-26)18-13-19(27)25-20(24-18)17-6-1-2-9-23-17/h1-6,9,12-14H,7-8,10-11H2,(H,24,25,27)
InChIKeyMCLSVZLWUJPJMR-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

4-[(3S)-1-[(2S)-2-(3-fluorophenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136774977
4-[(3S)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682355
4-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136858546
4-[(3R)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136892094
4-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136858527
4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765779
4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136673471
(3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 22585654
4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765806
4-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765796
4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765591
4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136673578

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 135963222) is 4-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one is O=C(c1cccc(F)c1)N1CCC(c2cc(=O)[nH]c(-c3ccccn3)n2)CC1.
What is the InChIKey of 4-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is MCLSVZLWUJPJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-16-5-3-4-15(12-16)21(28)26-10-7-14(8-11-26)18-13-19(27)25-20(24-18)17-6-1-2-9-23-17/h1-6,9,12-14H,7-8,10-11H2,(H,24,25,27).
What are the key properties of 4-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
4-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-pyridin-2-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 4-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135963222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).