2-[1-[4-(2-fluorophenoxy)butanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one

C24H25FN4O3 — CID 136820889

IUPAC2-[1-[4-(2-fluorophenoxy)butanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(CCCOc1ccccc1F)N1CCC(c2nc(-c3ccccn3)cc(=O)[nH]2)CC1
InChIInChI=1S/C24H25FN4O3/c25-18-6-1-2-8-21(18)32-15-5-9-23(31)29-13-10-17(11-14-29)24-27-20(16-22(30)28-24)19-7-3-4-12-26-19/h1-4,6-8,12,16-17H,5,9-11,13-15H2,(H,27,28,30)
InChIKeyCXHRSSRVRMCVEO-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.54
Rot. Bonds7

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

2-[1-[4-(2-fluorophenoxy)butanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 136820889) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-[1-[4-(2-fluorophenoxy)butanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-[4-(2-fluorophenoxy)butanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID136820889
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name2-[1-[4-(2-fluorophenoxy)butanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(CCCOc1ccccc1F)N1CCC(c2nc(-c3ccccn3)cc(=O)[nH]2)CC1
InChIInChI=1S/C24H25FN4O3/c25-18-6-1-2-8-21(18)32-15-5-9-23(31)29-13-10-17(11-14-29)24-27-20(16-22(30)28-24)19-7-3-4-12-26-19/h1-4,6-8,12,16-17H,5,9-11,13-15H2,(H,27,28,30)
InChIKeyCXHRSSRVRMCVEO-UHFFFAOYSA-N
XLogP3.54
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136881093
2-[(3R)-1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682319
4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136735357
2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136881126
2-[(3R)-1-[2-(4-methylsulfonylphenyl)acetyl]pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136850811
4-pyridin-2-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136821000
2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682322
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(2,4-dichlorophenoxy)butan-1-one
CID 35348225
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136816122
1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-(2-fluorophenoxy)butan-1-one
CID 55956319
2-[(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136850595
4-(2-fluorophenoxy)-1-[3-[3-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one
CID 127248642

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-fluorophenoxy)butanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-[4-(2-fluorophenoxy)butanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one (CID 136820889) is 2-[1-[4-(2-fluorophenoxy)butanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-[4-(2-fluorophenoxy)butanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-[4-(2-fluorophenoxy)butanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one is O=C(CCCOc1ccccc1F)N1CCC(c2nc(-c3ccccn3)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-[1-[4-(2-fluorophenoxy)butanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is CXHRSSRVRMCVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c25-18-6-1-2-8-21(18)32-15-5-9-23(31)29-13-10-17(11-14-29)24-27-20(16-22(30)28-24)19-7-3-4-12-26-19/h1-4,6-8,12,16-17H,5,9-11,13-15H2,(H,27,28,30).
What are the key properties of 2-[1-[4-(2-fluorophenoxy)butanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
2-[1-[4-(2-fluorophenoxy)butanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 436.49 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-fluorophenoxy)butanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136820889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).