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

C31H32N2O4 — CID 134218844

IUPAC5-(furan-2-yl)-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenylpyridin-2-one
SMILESC[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3ccco3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1
InChIInChI=1S/C31H32N2O4/c1-23(24-9-4-2-5-10-24)19-29(34)32-16-14-31(36,15-17-32)22-33-21-27(28-13-8-18-37-28)26(20-30(33)35)25-11-6-3-7-12-25/h2-13,18,20-21,23,36H,14-17,19,22H2,1H3/t23-/m1/s1
InChIKeyLSRPEGLUEZMVTK-HSZRJFAPSA-N
MW496.61 g/mol
LogP5.32
Rot. Bonds7

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

5-(furan-2-yl)-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenylpyridin-2-one (PubChem CID 134218844) has the molecular formula C31H32N2O4 and a molecular weight of 496.61 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenylpyridin-2-one.

Molecular Properties

Compound Name5-(furan-2-yl)-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenylpyridin-2-one
PubChem CID134218844
Molecular FormulaC31H32N2O4
Molecular Weight496.61 g/mol
Exact Mass496.24
IUPAC Name5-(furan-2-yl)-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenylpyridin-2-one
SMILESC[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3ccco3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1
InChIInChI=1S/C31H32N2O4/c1-23(24-9-4-2-5-10-24)19-29(34)32-16-14-31(36,15-17-32)22-33-21-27(28-13-8-18-37-28)26(20-30(33)35)25-11-6-3-7-12-25/h2-13,18,20-21,23,36H,14-17,19,22H2,1H3/t23-/m1/s1
InChIKeyLSRPEGLUEZMVTK-HSZRJFAPSA-N
XLogP5.32
TPSA75.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenylpyridin-2-one?
The IUPAC name of 5-(furan-2-yl)-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenylpyridin-2-one (CID 134218844) is 5-(furan-2-yl)-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenylpyridin-2-one.
What is the SMILES notation for 5-(furan-2-yl)-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenylpyridin-2-one?
The canonical SMILES for 5-(furan-2-yl)-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenylpyridin-2-one is C[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3ccco3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1.
What is the InChIKey of 5-(furan-2-yl)-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenylpyridin-2-one?
The InChIKey is LSRPEGLUEZMVTK-HSZRJFAPSA-N. The full InChI is InChI=1S/C31H32N2O4/c1-23(24-9-4-2-5-10-24)19-29(34)32-16-14-31(36,15-17-32)22-33-21-27(28-13-8-18-37-28)26(20-30(33)35)25-11-6-3-7-12-25/h2-13,18,20-21,23,36H,14-17,19,22H2,1H3/t23-/m1/s1.
What are the key properties of 5-(furan-2-yl)-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenylpyridin-2-one?
5-(furan-2-yl)-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenylpyridin-2-one has a molecular weight of 496.61 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-phenylpyridin-2-one is sourced from PubChem (CID 134218844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).