1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid

C28H30N2O5 — CID 134211837

IUPAC1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid
SMILESCC(CC(=O)N1CCC(O)(Cn2cc(C(=O)O)c(-c3ccccc3)cc2=O)CC1)c1ccccc1
InChIInChI=1S/C28H30N2O5/c1-20(21-8-4-2-5-9-21)16-25(31)29-14-12-28(35,13-15-29)19-30-18-24(27(33)34)23(17-26(30)32)22-10-6-3-7-11-22/h2-11,17-18,20,35H,12-16,19H2,1H3,(H,33,34)
InChIKeyBARWABBKLWOOLG-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.76
Rot. Bonds7

About 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid

1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid (PubChem CID 134211837) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid
PubChem CID134211837
Molecular FormulaC28H30N2O5
Molecular Weight474.56 g/mol
Exact Mass474.22
IUPAC Name1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid
SMILESCC(CC(=O)N1CCC(O)(Cn2cc(C(=O)O)c(-c3ccccc3)cc2=O)CC1)c1ccccc1
InChIInChI=1S/C28H30N2O5/c1-20(21-8-4-2-5-9-21)16-25(31)29-14-12-28(35,13-15-29)19-30-18-24(27(33)34)23(17-26(30)32)22-10-6-3-7-11-22/h2-11,17-18,20,35H,12-16,19H2,1H3,(H,33,34)
InChIKeyBARWABBKLWOOLG-UHFFFAOYSA-N
XLogP3.76
TPSA99.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid with MolForge

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Related Compounds

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-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-5-phenyl-4-prop-1-en-2-ylpyridin-2-one
CID 139347178
N-cyclohexyl-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxamide
CID 134218775
1-[[1-(4,4-difluoro-3-phenylbutanoyl)-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide
CID 139346980
1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-(2-methoxyphenyl)-N-methyl-6-oxo-N-propan-2-ylpyridine-3-carboxamide
CID 139346944
3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-methylpyrimidin-4-one
CID 166555545
4-(2-cyanophenyl)-1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-N-methyl-6-oxo-N-propan-2-ylpyridine-3-carboxamide
CID 139347331
1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide
CID 134218785
3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 139414925
3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one
CID 134218638
6-[2-(dimethylamino)ethyl-methylamino]-3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 139415035

Frequently Asked Questions

What is the IUPAC name of 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid?
The IUPAC name of 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid (CID 134211837) is 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid is CC(CC(=O)N1CCC(O)(Cn2cc(C(=O)O)c(-c3ccccc3)cc2=O)CC1)c1ccccc1.
What is the InChIKey of 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid?
The InChIKey is BARWABBKLWOOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O5/c1-20(21-8-4-2-5-9-21)16-25(31)29-14-12-28(35,13-15-29)19-30-18-24(27(33)34)23(17-26(30)32)22-10-6-3-7-11-22/h2-11,17-18,20,35H,12-16,19H2,1H3,(H,33,34).
What are the key properties of 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid?
1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid has a molecular weight of 474.56 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 134211837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).