potassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate

C20H21KN2O5 — CID 167838857

IUPACpotassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate
SMILESCc1cccc(Cn2cccc(C(=O)N3CC(O)CC(C(=O)[O-])C3)c2=O)c1.[K+]
InChIInChI=1S/C20H22N2O5.K/c1-13-4-2-5-14(8-13)10-21-7-3-6-17(18(21)24)19(25)22-11-15(20(26)27)9-16(23)12-22;/h2-8,15-16,23H,9-12H2,1H3,(H,26,27);/q;+1/p-1
InChIKeyAGLNULBQQICJKL-UHFFFAOYSA-M
MW408.50 g/mol
LogP-3.22
Rot. Bonds4

About potassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate

potassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate (PubChem CID 167838857) has the molecular formula C20H21KN2O5 and a molecular weight of 408.50 g/mol. Its IUPAC name is potassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namepotassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate
PubChem CID167838857
Molecular FormulaC20H21KN2O5
Molecular Weight408.50 g/mol
Exact Mass408.11
IUPAC Namepotassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate
SMILESCc1cccc(Cn2cccc(C(=O)N3CC(O)CC(C(=O)[O-])C3)c2=O)c1.[K+]
InChIInChI=1S/C20H22N2O5.K/c1-13-4-2-5-14(8-13)10-21-7-3-6-17(18(21)24)19(25)22-11-15(20(26)27)9-16(23)12-22;/h2-8,15-16,23H,9-12H2,1H3,(H,26,27);/q;+1/p-1
InChIKeyAGLNULBQQICJKL-UHFFFAOYSA-M
XLogP-3.22
TPSA102.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 5-3.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze potassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate 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-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid
CID 126786953
3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 52539460
3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 95584378
3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256185
(3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid
CID 125151027
N-(2-hydroxyethyl)-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110907214
N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-N-phenylpyridine-3-carboxamide
CID 7598420
N-[(1-ethylsulfonylazetidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 86804608
N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110907215
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 98845887
N-[(2S)-3,3-dimethylbutan-2-yl]-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 52539461
N-[(1-hydroxycyclobutyl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 111445693

Frequently Asked Questions

What is the IUPAC name of potassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate?
The IUPAC name of potassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate (CID 167838857) is potassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for potassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for potassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate is Cc1cccc(Cn2cccc(C(=O)N3CC(O)CC(C(=O)[O-])C3)c2=O)c1.[K+].
What is the InChIKey of potassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate?
The InChIKey is AGLNULBQQICJKL-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H22N2O5.K/c1-13-4-2-5-14(8-13)10-21-7-3-6-17(18(21)24)19(25)22-11-15(20(26)27)9-16(23)12-22;/h2-8,15-16,23H,9-12H2,1H3,(H,26,27);/q;+1/p-1.
What are the key properties of potassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate?
potassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate has a molecular weight of 408.50 g/mol, XLogP of -3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 167838857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).