5-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid

C15H20N2O4 — CID 122117300

IUPAC5-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid
SMILESCc1ccn(CC(=O)N2CC(C)CC(C(=O)O)C2)c(=O)c1
InChIInChI=1S/C15H20N2O4/c1-10-3-4-16(13(18)6-10)9-14(19)17-7-11(2)5-12(8-17)15(20)21/h3-4,6,11-12H,5,7-9H2,1-2H3,(H,20,21)
InChIKeyPVRGLSKIYNKZCN-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.73
Rot. Bonds3

About 5-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid

5-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid (PubChem CID 122117300) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid
PubChem CID122117300
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name5-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid
SMILESCc1ccn(CC(=O)N2CC(C)CC(C(=O)O)C2)c(=O)c1
InChIInChI=1S/C15H20N2O4/c1-10-3-4-16(13(18)6-10)9-14(19)17-7-11(2)5-12(8-17)15(20)21/h3-4,6,11-12H,5,7-9H2,1-2H3,(H,20,21)
InChIKeyPVRGLSKIYNKZCN-UHFFFAOYSA-N
XLogP0.73
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-2-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 122116736
1-(2,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119554
5-methyl-1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 122119448
5-methyl-1-[4-(4-methylphenyl)butanoyl]piperidine-3-carboxylic acid
CID 122118846
5-methyl-1-[(E)-4-(4-methylphenyl)but-3-enoyl]piperidine-3-carboxylic acid
CID 122117547
1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122726
2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid
CID 82902984
5-methyl-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122118829
5-methyl-1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122118273
1-[2-(3,4-dimethylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119479
1-but-3-ynoyl-5-methylpiperidine-3-carboxylic acid
CID 130987653
1-[2-(4-chlorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119518

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid (CID 122117300) is 5-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid is Cc1ccn(CC(=O)N2CC(C)CC(C(=O)O)C2)c(=O)c1.
What is the InChIKey of 5-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is PVRGLSKIYNKZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-3-4-16(13(18)6-10)9-14(19)17-7-11(2)5-12(8-17)15(20)21/h3-4,6,11-12H,5,7-9H2,1-2H3,(H,20,21).
What are the key properties of 5-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid?
5-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122117300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).