2-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one

C22H20F2N4O2 — CID 136881217

IUPAC2-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=C(Cc1cc(F)ccc1F)N1CCCC(c2nc(-c3ccncc3)cc(=O)[nH]2)C1
InChIInChI=1S/C22H20F2N4O2/c23-17-3-4-18(24)16(10-17)11-21(30)28-9-1-2-15(13-28)22-26-19(12-20(29)27-22)14-5-7-25-8-6-14/h3-8,10,12,15H,1-2,9,11,13H2,(H,26,27,29)
InChIKeyJDOHKSSXSNBQNC-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.06
Rot. Bonds4

About 2-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one

2-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 136881217) has the molecular formula C22H20F2N4O2 and a molecular weight of 410.42 g/mol. Its IUPAC name is 2-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID136881217
Molecular FormulaC22H20F2N4O2
Molecular Weight410.42 g/mol
Exact Mass410.16
IUPAC Name2-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=C(Cc1cc(F)ccc1F)N1CCCC(c2nc(-c3ccncc3)cc(=O)[nH]2)C1
InChIInChI=1S/C22H20F2N4O2/c23-17-3-4-18(24)16(10-17)11-21(30)28-9-1-2-15(13-28)22-26-19(12-20(29)27-22)14-5-7-25-8-6-14/h3-8,10,12,15H,1-2,9,11,13H2,(H,26,27,29)
InChIKeyJDOHKSSXSNBQNC-UHFFFAOYSA-N
XLogP3.06
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[1-[3-(2-fluorophenyl)propanoyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881215
2-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136681404
2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136820909
2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881151
2-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881616
2-[(3R)-1-[(3S)-oxolane-3-carbonyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136820939
2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95779150
2-[(3R)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]pyrrolidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 137090413
1-[(3R)-3-aminopiperidin-1-yl]-2-(2,5-difluorophenyl)ethanone
CID 176515261
2-[1-[2-(3-methylphenyl)acetyl]piperidin-3-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136816477
(3S)-1-[2-(2,5-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 98024202
4-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136816093

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one (CID 136881217) is 2-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one is O=C(Cc1cc(F)ccc1F)N1CCCC(c2nc(-c3ccncc3)cc(=O)[nH]2)C1.
What is the InChIKey of 2-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is JDOHKSSXSNBQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2/c23-17-3-4-18(24)16(10-17)11-21(30)28-9-1-2-15(13-28)22-26-19(12-20(29)27-22)14-5-7-25-8-6-14/h3-8,10,12,15H,1-2,9,11,13H2,(H,26,27,29).
What are the key properties of 2-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one?
2-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 410.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136881217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).