1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenyl-5-pyridin-2-ylpyridin-2-one

C32H33N3O3 — CID 134218500

IUPAC1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenyl-5-pyridin-2-ylpyridin-2-one
SMILESC[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3ccccn3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1
InChIInChI=1S/C32H33N3O3/c1-24(25-10-4-2-5-11-25)20-30(36)34-18-15-32(38,16-19-34)23-35-22-28(29-14-8-9-17-33-29)27(21-31(35)37)26-12-6-3-7-13-26/h2-14,17,21-22,24,38H,15-16,18-20,23H2,1H3/t24-/m1/s1
InChIKeyKNQYGFQMEHODTO-XMMPIXPASA-N
MW507.63 g/mol
LogP5.12
Rot. Bonds7

About 1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenyl-5-pyridin-2-ylpyridin-2-one

1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenyl-5-pyridin-2-ylpyridin-2-one (PubChem CID 134218500) has the molecular formula C32H33N3O3 and a molecular weight of 507.63 g/mol. Its IUPAC name is 1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenyl-5-pyridin-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenyl-5-pyridin-2-ylpyridin-2-one
PubChem CID134218500
Molecular FormulaC32H33N3O3
Molecular Weight507.63 g/mol
Exact Mass507.25
IUPAC Name1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenyl-5-pyridin-2-ylpyridin-2-one
SMILESC[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3ccccn3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1
InChIInChI=1S/C32H33N3O3/c1-24(25-10-4-2-5-11-25)20-30(36)34-18-15-32(38,16-19-34)23-35-22-28(29-14-8-9-17-33-29)27(21-31(35)37)26-12-6-3-7-13-26/h2-14,17,21-22,24,38H,15-16,18-20,23H2,1H3/t24-/m1/s1
InChIKeyKNQYGFQMEHODTO-XMMPIXPASA-N
XLogP5.12
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.63
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenyl-5-pyridin-2-ylpyridin-2-one with MolForge

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Related Compounds

Ro 23-7637
CID 129491
N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-2-ylmethyl]benzamide
CID 57394195
3-(4-fluorobenzyl)-4-hydroxy-1-[2-(2-pyridinyl)ethyl]-2(1H)-pyridinone
CID 54679772
(4-Phenylphenyl)-[4-(2-pyridylmethyl)piperazino]methanone
CID 1148103
1',5'-diphenyl-[2,3'-bipyridin]-6'(1'H)-one
CID 9945124
[4-(3,3-Diphenyl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10048004
N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentyl-N-[(4-pyridin-3-ylphenyl)methyl]benzamide
CID 10229401
[4-(4,4-Diphenyl-butyryl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10433272
N-(4-(pyridin-2-yl)benzyl)-N-(2-(dibutylamino)ethyl)-4-pentylbenzamide
CID 11237615
3-(2-Methylphenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one
CID 22319153
2,2-Diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 1131733
2,2-Diphenyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 1360932

Frequently Asked Questions

What is the IUPAC name of 1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenyl-5-pyridin-2-ylpyridin-2-one?
The IUPAC name of 1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenyl-5-pyridin-2-ylpyridin-2-one (CID 134218500) is 1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenyl-5-pyridin-2-ylpyridin-2-one.
What is the SMILES notation for 1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenyl-5-pyridin-2-ylpyridin-2-one?
The canonical SMILES for 1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenyl-5-pyridin-2-ylpyridin-2-one is C[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3ccccn3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1.
What is the InChIKey of 1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenyl-5-pyridin-2-ylpyridin-2-one?
The InChIKey is KNQYGFQMEHODTO-XMMPIXPASA-N. The full InChI is InChI=1S/C32H33N3O3/c1-24(25-10-4-2-5-11-25)20-30(36)34-18-15-32(38,16-19-34)23-35-22-28(29-14-8-9-17-33-29)27(21-31(35)37)26-12-6-3-7-13-26/h2-14,17,21-22,24,38H,15-16,18-20,23H2,1H3/t24-/m1/s1.
What are the key properties of 1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenyl-5-pyridin-2-ylpyridin-2-one?
1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenyl-5-pyridin-2-ylpyridin-2-one has a molecular weight of 507.63 g/mol, XLogP of 5.12, 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-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenyl-5-pyridin-2-ylpyridin-2-one is sourced from PubChem (CID 134218500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).