1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-4-phenylpyridin-2-one

C22H26N4O2 — CID 134218664

IUPAC1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-4-phenylpyridin-2-one
SMILESCN1CCC(O)(Cn2cc(-c3cnn(C)c3)c(-c3ccccc3)cc2=O)CC1
InChIInChI=1S/C22H26N4O2/c1-24-10-8-22(28,9-11-24)16-26-15-20(18-13-23-25(2)14-18)19(12-21(26)27)17-6-4-3-5-7-17/h3-7,12-15,28H,8-11,16H2,1-2H3
InChIKeyLXQPUPZRXGLLKF-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.37
Rot. Bonds4

About 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-4-phenylpyridin-2-one

1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-4-phenylpyridin-2-one (PubChem CID 134218664) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-4-phenylpyridin-2-one.

Molecular Properties

Compound Name1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-4-phenylpyridin-2-one
PubChem CID134218664
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-4-phenylpyridin-2-one
SMILESCN1CCC(O)(Cn2cc(-c3cnn(C)c3)c(-c3ccccc3)cc2=O)CC1
InChIInChI=1S/C22H26N4O2/c1-24-10-8-22(28,9-11-24)16-26-15-20(18-13-23-25(2)14-18)19(12-21(26)27)17-6-4-3-5-7-17/h3-7,12-15,28H,8-11,16H2,1-2H3
InChIKeyLXQPUPZRXGLLKF-UHFFFAOYSA-N
XLogP2.37
TPSA63.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-(2-methylpyrazol-3-yl)-4-phenylpyridin-2-one
CID 146660163
5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one
CID 135355148
1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one
CID 146879743
6-chloro-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-7-[3-(1-methylpyrazol-4-yl)phenyl]pyrrolo[2,3-d]pyrimidin-4-one
CID 134451349
1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid
CID 134211837
N-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide
CID 135355345
1-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one
CID 166989164
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
1-methyl-5-[1-(methylsulfonylmethyl)pyrazol-4-yl]-4-phenylpyridin-2-one
CID 135355336
1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-5-phenyl-4-prop-1-en-2-ylpyridin-2-one
CID 139347178
1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide
CID 134218785
4-[1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carbonyl]piperazine-1-carboxylic acid
CID 134210027

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-4-phenylpyridin-2-one?
The IUPAC name of 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-4-phenylpyridin-2-one (CID 134218664) is 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-4-phenylpyridin-2-one.
What is the SMILES notation for 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-4-phenylpyridin-2-one?
The canonical SMILES for 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-4-phenylpyridin-2-one is CN1CCC(O)(Cn2cc(-c3cnn(C)c3)c(-c3ccccc3)cc2=O)CC1.
What is the InChIKey of 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-4-phenylpyridin-2-one?
The InChIKey is LXQPUPZRXGLLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-24-10-8-22(28,9-11-24)16-26-15-20(18-13-23-25(2)14-18)19(12-21(26)27)17-6-4-3-5-7-17/h3-7,12-15,28H,8-11,16H2,1-2H3.
What are the key properties of 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-4-phenylpyridin-2-one?
1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-4-phenylpyridin-2-one has a molecular weight of 378.48 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-4-phenylpyridin-2-one is sourced from PubChem (CID 134218664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).