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

C31H34N4O3 — CID 134218629

IUPAC1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-5-(2-methylpyrazol-3-yl)-4-phenylpyridin-2-one
SMILESC[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3ccnn3C)c(-c3ccccc3)cc2=O)CC1)c1ccccc1
InChIInChI=1S/C31H34N4O3/c1-23(24-9-5-3-6-10-24)19-29(36)34-17-14-31(38,15-18-34)22-35-21-27(28-13-16-32-33(28)2)26(20-30(35)37)25-11-7-4-8-12-25/h3-13,16,20-21,23,38H,14-15,17-19,22H2,1-2H3/t23-/m1/s1
InChIKeyBAUXYCVLIJZDCC-HSZRJFAPSA-N
MW510.64 g/mol
LogP4.46
Rot. Bonds7

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

1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-5-(2-methylpyrazol-3-yl)-4-phenylpyridin-2-one (PubChem CID 134218629) has the molecular formula C31H34N4O3 and a molecular weight of 510.64 g/mol. Its IUPAC name is 1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-5-(2-methylpyrazol-3-yl)-4-phenylpyridin-2-one.

Molecular Properties

Compound Name1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-5-(2-methylpyrazol-3-yl)-4-phenylpyridin-2-one
PubChem CID134218629
Molecular FormulaC31H34N4O3
Molecular Weight510.64 g/mol
Exact Mass510.26
IUPAC Name1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-5-(2-methylpyrazol-3-yl)-4-phenylpyridin-2-one
SMILESC[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3ccnn3C)c(-c3ccccc3)cc2=O)CC1)c1ccccc1
InChIInChI=1S/C31H34N4O3/c1-23(24-9-5-3-6-10-24)19-29(36)34-17-14-31(38,15-18-34)22-35-21-27(28-13-16-32-33(28)2)26(20-30(35)37)25-11-7-4-8-12-25/h3-13,16,20-21,23,38H,14-15,17-19,22H2,1-2H3/t23-/m1/s1
InChIKeyBAUXYCVLIJZDCC-HSZRJFAPSA-N
XLogP4.46
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24994458
N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-2-(3-(1-methyl-1H-pyrazol-5-yl)phenyl)acetamide
CID 90241691
1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-indazol-2-ylpyrazin-2-one
CID 139375769
US11807646, Example 15
CID 139375772
US11053213, Example 16
CID 134218631
US10766903, Example 3
CID 134451122
US10766903, Example 54
CID 134451345
3-{[[(1,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino]methyl}-3-hydroxy-1-(4-isopropylbenzyl)piperidin-2-one
CID 56753041
US11053213, Example 112
CID 134218570
US11053213, Example 109
CID 134218662
(1-Benzyl-3-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 8892514
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995388

Frequently Asked Questions

What is the IUPAC name of 1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-5-(2-methylpyrazol-3-yl)-4-phenylpyridin-2-one?
The IUPAC name of 1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-5-(2-methylpyrazol-3-yl)-4-phenylpyridin-2-one (CID 134218629) is 1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-5-(2-methylpyrazol-3-yl)-4-phenylpyridin-2-one.
What is the SMILES notation for 1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-5-(2-methylpyrazol-3-yl)-4-phenylpyridin-2-one?
The canonical SMILES for 1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-5-(2-methylpyrazol-3-yl)-4-phenylpyridin-2-one is C[C@H](CC(=O)N1CCC(O)(Cn2cc(-c3ccnn3C)c(-c3ccccc3)cc2=O)CC1)c1ccccc1.
What is the InChIKey of 1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-5-(2-methylpyrazol-3-yl)-4-phenylpyridin-2-one?
The InChIKey is BAUXYCVLIJZDCC-HSZRJFAPSA-N. The full InChI is InChI=1S/C31H34N4O3/c1-23(24-9-5-3-6-10-24)19-29(36)34-17-14-31(38,15-18-34)22-35-21-27(28-13-16-32-33(28)2)26(20-30(35)37)25-11-7-4-8-12-25/h3-13,16,20-21,23,38H,14-15,17-19,22H2,1-2H3/t23-/m1/s1.
What are the key properties of 1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-5-(2-methylpyrazol-3-yl)-4-phenylpyridin-2-one?
1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-5-(2-methylpyrazol-3-yl)-4-phenylpyridin-2-one has a molecular weight of 510.64 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-5-(2-methylpyrazol-3-yl)-4-phenylpyridin-2-one is sourced from PubChem (CID 134218629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).