2-methyl-5-[(2S)-piperidin-2-yl]-1H-pyridin-4-one

C11H16N2O — CID 131163056

IUPAC2-methyl-5-[(2S)-piperidin-2-yl]-1H-pyridin-4-one
SMILESCc1cc(=O)c([C@@H]2CCCCN2)c[nH]1
InChIInChI=1S/C11H16N2O/c1-8-6-11(14)9(7-13-8)10-4-2-3-5-12-10/h6-7,10,12H,2-5H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyZLSPMNANJDMJJG-JTQLQIEISA-N
MW192.26 g/mol
LogP1.50
Rot. Bonds1

About 2-methyl-5-[(2S)-piperidin-2-yl]-1H-pyridin-4-one

2-methyl-5-[(2S)-piperidin-2-yl]-1H-pyridin-4-one (PubChem CID 131163056) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-methyl-5-[(2S)-piperidin-2-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-5-[(2S)-piperidin-2-yl]-1H-pyridin-4-one
PubChem CID131163056
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-methyl-5-[(2S)-piperidin-2-yl]-1H-pyridin-4-one
SMILESCc1cc(=O)c([C@@H]2CCCCN2)c[nH]1
InChIInChI=1S/C11H16N2O/c1-8-6-11(14)9(7-13-8)10-4-2-3-5-12-10/h6-7,10,12H,2-5H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyZLSPMNANJDMJJG-JTQLQIEISA-N
XLogP1.50
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one
CID 131137914
(2R)-2-(5-methyl-1H-pyrrol-3-yl)piperidine
CID 92860318
5-piperidin-2-yl-1H-pyrimidine-2,4-dione
CID 115020167
5-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
CID 136812597
4-methyl-5-pyrrolidin-2-yl-1H-pyridine-2-thione
CID 102542689
5-fluoro-3-[(2R)-pyrrolidin-2-yl]-1H-pyridin-2-one
CID 141424047
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
2,5-dimethyl-4-piperidin-2-ylaniline
CID 58255114
(2R)-2-(4,5-dimethylfuran-2-yl)piperidine;hydrochloride
CID 171195696
2-(4-methyl-2-methylsulfonylphenyl)piperidine
CID 117386781
3-chloro-5-[(2R)-piperidin-2-yl]-1H-pyridin-2-one
CID 130713067
2-(2,3-difluoro-4-methylphenyl)piperidine
CID 84678474

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2S)-piperidin-2-yl]-1H-pyridin-4-one?
The IUPAC name of 2-methyl-5-[(2S)-piperidin-2-yl]-1H-pyridin-4-one (CID 131163056) is 2-methyl-5-[(2S)-piperidin-2-yl]-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-5-[(2S)-piperidin-2-yl]-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-5-[(2S)-piperidin-2-yl]-1H-pyridin-4-one is Cc1cc(=O)c([C@@H]2CCCCN2)c[nH]1.
What is the InChIKey of 2-methyl-5-[(2S)-piperidin-2-yl]-1H-pyridin-4-one?
The InChIKey is ZLSPMNANJDMJJG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-6-11(14)9(7-13-8)10-4-2-3-5-12-10/h6-7,10,12H,2-5H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of 2-methyl-5-[(2S)-piperidin-2-yl]-1H-pyridin-4-one?
2-methyl-5-[(2S)-piperidin-2-yl]-1H-pyridin-4-one has a molecular weight of 192.26 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2S)-piperidin-2-yl]-1H-pyridin-4-one is sourced from PubChem (CID 131163056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).