4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid

C21H26N2O3 — CID 170511886

IUPAC4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid
SMILESCc1ccn(CC2CCCN(CCc3ccccc3)C2)c(=O)c1C(=O)O
InChIInChI=1S/C21H26N2O3/c1-16-9-13-23(20(24)19(16)21(25)26)15-18-8-5-11-22(14-18)12-10-17-6-3-2-4-7-17/h2-4,6-7,9,13,18H,5,8,10-12,14-15H2,1H3,(H,25,26)
InChIKeyABACIQAUQJBMEP-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.81
Rot. Bonds6

About 4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid

4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 170511886) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid
PubChem CID170511886
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid
SMILESCc1ccn(CC2CCCN(CCc3ccccc3)C2)c(=O)c1C(=O)O
InChIInChI=1S/C21H26N2O3/c1-16-9-13-23(20(24)19(16)21(25)26)15-18-8-5-11-22(14-18)12-10-17-6-3-2-4-7-17/h2-4,6-7,9,13,18H,5,8,10-12,14-15H2,1H3,(H,25,26)
InChIKeyABACIQAUQJBMEP-UHFFFAOYSA-N
XLogP2.81
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-oxo-1-[(1-propylpyrrolidin-3-yl)methyl]pyridine-3-carboxylic acid
CID 170502555
4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one
CID 172655374
4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172912500
4-methyl-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxylic acid
CID 170511544
1-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170513126
7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 39796713
4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid
CID 170506720
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486
3-[1-[2-(4-methylphenyl)ethyl]piperidin-3-yl]propanoic acid
CID 122101094
3-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-benzimidazol-2-one
CID 12972134

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid (CID 170511886) is 4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid is Cc1ccn(CC2CCCN(CCc3ccccc3)C2)c(=O)c1C(=O)O.
What is the InChIKey of 4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is ABACIQAUQJBMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-9-13-23(20(24)19(16)21(25)26)15-18-8-5-11-22(14-18)12-10-17-6-3-2-4-7-17/h2-4,6-7,9,13,18H,5,8,10-12,14-15H2,1H3,(H,25,26).
What are the key properties of 4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid?
4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 354.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 170511886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).