1-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one

C27H36N2O3 — CID 166989164

IUPAC1-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one
SMILESCc1cn(CC2(O)CCN(C(=O)CCC3CCCCC3)CC2)c(=O)cc1-c1ccccc1
InChIInChI=1S/C27H36N2O3/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/h3,6-7,10-11,18-19,22,32H,2,4-5,8-9,12-17,20H2,1H3
InChIKeyXQXWEEQBXBABTL-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.54
Rot. Bonds6

About 1-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one

1-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one (PubChem CID 166989164) has the molecular formula C27H36N2O3 and a molecular weight of 436.60 g/mol. Its IUPAC name is 1-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one.

Molecular Properties

Compound Name1-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one
PubChem CID166989164
Molecular FormulaC27H36N2O3
Molecular Weight436.60 g/mol
Exact Mass436.27
IUPAC Name1-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one
SMILESCc1cn(CC2(O)CCN(C(=O)CCC3CCCCC3)CC2)c(=O)cc1-c1ccccc1
InChIInChI=1S/C27H36N2O3/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/h3,6-7,10-11,18-19,22,32H,2,4-5,8-9,12-17,20H2,1H3
InChIKeyXQXWEEQBXBABTL-UHFFFAOYSA-N
XLogP4.54
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one with MolForge

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Related Compounds

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]-4-phenyl-5-(piperidine-1-carbonyl)pyridin-2-one
CID 134218559
1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45338210
3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one
CID 110185891
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-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid
CID 134211837
1-[[1-[(2R)-3-cyclohexyl-2-methylpropyl]-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide
CID 146659511
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
1-[[7-(3-cyclobutylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide
CID 146660001
4-[1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carbonyl]piperazine-1-carboxylic acid
CID 134210027
ethyl 1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate
CID 134209669

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one?
The IUPAC name of 1-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one (CID 166989164) is 1-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one.
What is the SMILES notation for 1-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one?
The canonical SMILES for 1-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-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-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one?
The InChIKey is XQXWEEQBXBABTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O3/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/h3,6-7,10-11,18-19,22,32H,2,4-5,8-9,12-17,20H2,1H3.
What are the key properties of 1-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one?
1-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one has a molecular weight of 436.60 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one is sourced from PubChem (CID 166989164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).