[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone

C17H20N2O2S — CID 50964391

IUPAC[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)N2CC[C@@H](c3sccc3C)[C@H](O)C2)c1
InChIInChI=1S/C17H20N2O2S/c1-11-7-13(9-18-8-11)17(21)19-5-3-14(15(20)10-19)16-12(2)4-6-22-16/h4,6-9,14-15,20H,3,5,10H2,1-2H3/t14-,15-/m1/s1
InChIKeyMNAFDLOEWJSEAU-HUUCEWRRSA-N
MW316.43 g/mol
LogP2.75
Rot. Bonds2

About [(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone

[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone (PubChem CID 50964391) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is [(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
PubChem CID50964391
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)N2CC[C@@H](c3sccc3C)[C@H](O)C2)c1
InChIInChI=1S/C17H20N2O2S/c1-11-7-13(9-18-8-11)17(21)19-5-3-14(15(20)10-19)16-12(2)4-6-22-16/h4,6-9,14-15,20H,3,5,10H2,1-2H3/t14-,15-/m1/s1
InChIKeyMNAFDLOEWJSEAU-HUUCEWRRSA-N
XLogP2.75
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone with MolForge

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Related Compounds

[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 50954952
4-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 50972841
(2,6-dimethoxypyrimidin-4-yl)-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]methanone
CID 50983864
[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(2-methyl-1,8-naphthyridin-3-yl)methanone
CID 50976302
N-cyclopropyl-5-methyl-N-[1-(5-methylpyridine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 127738758
(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone
CID 81458199
[3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 114802166
3-(2-ethylimidazol-1-yl)-1-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]propan-1-one
CID 50953699
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 166615057
methyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806162
[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 97422435
[(3R,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124794762

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of [(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone (CID 50964391) is [(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone is Cc1cncc(C(=O)N2CC[C@@H](c3sccc3C)[C@H](O)C2)c1.
What is the InChIKey of [(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone?
The InChIKey is MNAFDLOEWJSEAU-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-11-7-13(9-18-8-11)17(21)19-5-3-14(15(20)10-19)16-12(2)4-6-22-16/h4,6-9,14-15,20H,3,5,10H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of [(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone?
[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone has a molecular weight of 316.43 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 50964391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).