3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one

C24H26N4O3 — CID 134451443

IUPAC3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
SMILESO=C(CCc1ccccc1)N1CCC(O)(Cn2cnc(-c3ccncc3)cc2=O)CC1
InChIInChI=1S/C24H26N4O3/c29-22(7-6-19-4-2-1-3-5-19)27-14-10-24(31,11-15-27)17-28-18-26-21(16-23(28)30)20-8-12-25-13-9-20/h1-5,8-9,12-13,16,18,31H,6-7,10-11,14-15,17H2
InChIKeyDUFNPIWEVYAIEF-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.29
Rot. Bonds6

About 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one

3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 134451443) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
PubChem CID134451443
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
SMILESO=C(CCc1ccccc1)N1CCC(O)(Cn2cnc(-c3ccncc3)cc2=O)CC1
InChIInChI=1S/C24H26N4O3/c29-22(7-6-19-4-2-1-3-5-19)27-14-10-24(31,11-15-27)17-28-18-26-21(16-23(28)30)20-8-12-25-13-9-20/h1-5,8-9,12-13,16,18,31H,6-7,10-11,14-15,17H2
InChIKeyDUFNPIWEVYAIEF-UHFFFAOYSA-N
XLogP2.29
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one
CID 134451237
3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 134451393
3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 139414925
6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 167160618
3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-(2-methoxyethylamino)pyrimidin-4-one
CID 134451488
1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one
CID 146879743
1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-9-methyl-8-phenylpurin-6-one
CID 134451212
1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-(2-methylpyrazol-3-yl)-4-phenylpyridin-2-one
CID 146660163
6-chloro-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 168993090
1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-phenyl-5-(piperidine-1-carbonyl)pyridin-2-one
CID 134218559
1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one
CID 134218656
3-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942852

Frequently Asked Questions

What is the IUPAC name of 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one (CID 134451443) is 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one is O=C(CCc1ccccc1)N1CCC(O)(Cn2cnc(-c3ccncc3)cc2=O)CC1.
What is the InChIKey of 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is DUFNPIWEVYAIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-22(7-6-19-4-2-1-3-5-19)27-14-10-24(31,11-15-27)17-28-18-26-21(16-23(28)30)20-8-12-25-13-9-20/h1-5,8-9,12-13,16,18,31H,6-7,10-11,14-15,17H2.
What are the key properties of 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one?
3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 418.50 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 134451443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).