1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one

C27H30N2O3 — CID 146879743

IUPAC1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one
SMILESCc1cn(CC2(O)CCN(C(=O)CCc3ccccc3)CC2)c(=O)cc1-c1ccccc1
InChIInChI=1S/C27H30N2O3/c1-21-19-29(26(31)18-24(21)23-10-6-3-7-11-23)20-27(32)14-16-28(17-15-27)25(30)13-12-22-8-4-2-5-9-22/h2-11,18-19,32H,12-17,20H2,1H3
InChIKeySRPAWXZKEWFDQA-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.81
Rot. Bonds6

About 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one

1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one (PubChem CID 146879743) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one.

Molecular Properties

Compound Name1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one
PubChem CID146879743
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one
SMILESCc1cn(CC2(O)CCN(C(=O)CCc3ccccc3)CC2)c(=O)cc1-c1ccccc1
InChIInChI=1S/C27H30N2O3/c1-21-19-29(26(31)18-24(21)23-10-6-3-7-11-23)20-27(32)14-16-28(17-15-27)25(30)13-12-22-8-4-2-5-9-22/h2-11,18-19,32H,12-17,20H2,1H3
InChIKeySRPAWXZKEWFDQA-UHFFFAOYSA-N
XLogP3.81
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one
CID 166989164
1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide
CID 134218785
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
1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-(2-methylpyrazol-3-yl)-4-phenylpyridin-2-one
CID 146660163
3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 134451443
3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 134451393
3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one
CID 134451237
1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid
CID 134211837
1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-9-methyl-8-phenylpurin-6-one
CID 134451212
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

Frequently Asked Questions

What is the IUPAC name of 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one?
The IUPAC name of 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one (CID 146879743) is 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one.
What is the SMILES notation for 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one?
The canonical SMILES for 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one is Cc1cn(CC2(O)CCN(C(=O)CCc3ccccc3)CC2)c(=O)cc1-c1ccccc1.
What is the InChIKey of 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one?
The InChIKey is SRPAWXZKEWFDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-21-19-29(26(31)18-24(21)23-10-6-3-7-11-23)20-27(32)14-16-28(17-15-27)25(30)13-12-22-8-4-2-5-9-22/h2-11,18-19,32H,12-17,20H2,1H3.
What are the key properties of 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one?
1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one has a molecular weight of 430.55 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one is sourced from PubChem (CID 146879743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).