1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-phenyl-5-(piperidine-1-carbonyl)pyridin-2-one

C32H37N3O4 — CID 134218559

IUPAC1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-phenyl-5-(piperidine-1-carbonyl)pyridin-2-one
SMILESO=C(CCc1ccccc1)N1CCC(O)(Cn2cc(C(=O)N3CCCCC3)c(-c3ccccc3)cc2=O)CC1
InChIInChI=1S/C32H37N3O4/c36-29(15-14-25-10-4-1-5-11-25)33-20-16-32(39,17-21-33)24-35-23-28(31(38)34-18-8-3-9-19-34)27(22-30(35)37)26-12-6-2-7-13-26/h1-2,4-7,10-13,22-23,39H,3,8-9,14-21,24H2
InChIKeyMSGMXLGNRFACIK-UHFFFAOYSA-N
MW527.67 g/mol
LogP4.13
Rot. Bonds7

About 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-phenyl-5-(piperidine-1-carbonyl)pyridin-2-one

1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-phenyl-5-(piperidine-1-carbonyl)pyridin-2-one (PubChem CID 134218559) has the molecular formula C32H37N3O4 and a molecular weight of 527.67 g/mol. Its IUPAC name is 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-phenyl-5-(piperidine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-phenyl-5-(piperidine-1-carbonyl)pyridin-2-one
PubChem CID134218559
Molecular FormulaC32H37N3O4
Molecular Weight527.67 g/mol
Exact Mass527.28
IUPAC Name1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-phenyl-5-(piperidine-1-carbonyl)pyridin-2-one
SMILESO=C(CCc1ccccc1)N1CCC(O)(Cn2cc(C(=O)N3CCCCC3)c(-c3ccccc3)cc2=O)CC1
InChIInChI=1S/C32H37N3O4/c36-29(15-14-25-10-4-1-5-11-25)33-20-16-32(39,17-21-33)24-35-23-28(31(38)34-18-8-3-9-19-34)27(22-30(35)37)26-12-6-2-7-13-26/h1-2,4-7,10-13,22-23,39H,3,8-9,14-21,24H2
InChIKeyMSGMXLGNRFACIK-UHFFFAOYSA-N
XLogP4.13
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.67
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-phenyl-5-(piperidine-1-carbonyl)pyridin-2-one with MolForge

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Related Compounds

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]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide
CID 134218785
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]-5-(2-methylpyrazol-3-yl)-4-phenylpyridin-2-one
CID 146660163
4-[1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carbonyl]piperazine-1-carboxylic acid
CID 134210027
1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one
CID 134218882
1-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one
CID 166989164
1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid
CID 134211837
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
N-cyclohexyl-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxamide
CID 134218775

Frequently Asked Questions

What is the IUPAC name of 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-phenyl-5-(piperidine-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-phenyl-5-(piperidine-1-carbonyl)pyridin-2-one (CID 134218559) is 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-phenyl-5-(piperidine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-phenyl-5-(piperidine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-phenyl-5-(piperidine-1-carbonyl)pyridin-2-one is O=C(CCc1ccccc1)N1CCC(O)(Cn2cc(C(=O)N3CCCCC3)c(-c3ccccc3)cc2=O)CC1.
What is the InChIKey of 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-phenyl-5-(piperidine-1-carbonyl)pyridin-2-one?
The InChIKey is MSGMXLGNRFACIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O4/c36-29(15-14-25-10-4-1-5-11-25)33-20-16-32(39,17-21-33)24-35-23-28(31(38)34-18-8-3-9-19-34)27(22-30(35)37)26-12-6-2-7-13-26/h1-2,4-7,10-13,22-23,39H,3,8-9,14-21,24H2.
What are the key properties of 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-phenyl-5-(piperidine-1-carbonyl)pyridin-2-one?
1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-phenyl-5-(piperidine-1-carbonyl)pyridin-2-one has a molecular weight of 527.67 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-phenyl-5-(piperidine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 134218559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).