4-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

C17H20N2O3S — CID 50972841

IUPAC4-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CC[C@@H](c3sccc3C)[C@H](O)C2)cc(=O)[nH]1
InChIInChI=1S/C17H20N2O3S/c1-10-4-6-23-16(10)13-3-5-19(9-14(13)20)17(22)12-7-11(2)18-15(21)8-12/h4,6-8,13-14,20H,3,5,9H2,1-2H3,(H,18,21)/t13-,14-/m1/s1
InChIKeyKWSBYWFHPUPRED-ZIAGYGMSSA-N
MW332.43 g/mol
LogP2.04
Rot. Bonds2

About 4-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

4-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 50972841) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID50972841
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CC[C@@H](c3sccc3C)[C@H](O)C2)cc(=O)[nH]1
InChIInChI=1S/C17H20N2O3S/c1-10-4-6-23-16(10)13-3-5-19(9-14(13)20)17(22)12-7-11(2)18-15(21)8-12/h4,6-8,13-14,20H,3,5,9H2,1-2H3,(H,18,21)/t13-,14-/m1/s1
InChIKeyKWSBYWFHPUPRED-ZIAGYGMSSA-N
XLogP2.04
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one with MolForge

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Related Compounds

[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 50964391
[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 50954952
[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 50980278
[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(2-methyl-1,8-naphthyridin-3-yl)methanone
CID 50976302
(2,6-dimethoxypyrimidin-4-yl)-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]methanone
CID 50983864
4-[3-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 138383179
4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 129352590
3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 163306352
6-methyl-4-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane-4-carbonyl]-1H-pyridin-2-one
CID 99946860
6-hydroxy-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 66260859
3-(2-ethylimidazol-1-yl)-1-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]propan-1-one
CID 50953699
6-methyl-4-(1-methyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1H-pyridin-2-one
CID 138385101

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (CID 50972841) is 4-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is Cc1cc(C(=O)N2CC[C@@H](c3sccc3C)[C@H](O)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is KWSBYWFHPUPRED-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-10-4-6-23-16(10)13-3-5-19(9-14(13)20)17(22)12-7-11(2)18-15(21)8-12/h4,6-8,13-14,20H,3,5,9H2,1-2H3,(H,18,21)/t13-,14-/m1/s1.
What are the key properties of 4-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
4-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 332.43 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 50972841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).