2-(3-methoxy-4-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide

C15H23N3OS — CID 102957969

IUPAC2-(3-methoxy-4-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
SMILESCOC1CN(c2nc(C)cc(C)c2C(N)=S)CCC1C
InChIInChI=1S/C15H23N3OS/c1-9-5-6-18(8-12(9)19-4)15-13(14(16)20)10(2)7-11(3)17-15/h7,9,12H,5-6,8H2,1-4H3,(H2,16,20)
InChIKeyRFHHXHRMTHPAEX-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.19
Rot. Bonds3

About 2-(3-methoxy-4-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide

2-(3-methoxy-4-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide (PubChem CID 102957969) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(3-methoxy-4-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
PubChem CID102957969
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(3-methoxy-4-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
SMILESCOC1CN(c2nc(C)cc(C)c2C(N)=S)CCC1C
InChIInChI=1S/C15H23N3OS/c1-9-5-6-18(8-12(9)19-4)15-13(14(16)20)10(2)7-11(3)17-15/h7,9,12H,5-6,8H2,1-4H3,(H2,16,20)
InChIKeyRFHHXHRMTHPAEX-UHFFFAOYSA-N
XLogP2.19
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 103533634
2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 114678636
2-[4-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbothioamide
CID 63977859
2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 62930076
4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide
CID 61177475
2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
CID 103534314
2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzenecarbothioamide
CID 107929353
2-(4-ethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 61177677
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 112731118
2-(3,4-dimethoxypyrrolidin-1-yl)-6-methylpyridine-3-carbothioamide
CID 103533673
[2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]methanol
CID 114219929
6-(3-methoxy-4-methylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-amine
CID 102971402

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide (CID 102957969) is 2-(3-methoxy-4-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 2-(3-methoxy-4-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 2-(3-methoxy-4-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide is COC1CN(c2nc(C)cc(C)c2C(N)=S)CCC1C.
What is the InChIKey of 2-(3-methoxy-4-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide?
The InChIKey is RFHHXHRMTHPAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-9-5-6-18(8-12(9)19-4)15-13(14(16)20)10(2)7-11(3)17-15/h7,9,12H,5-6,8H2,1-4H3,(H2,16,20).
What are the key properties of 2-(3-methoxy-4-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide?
2-(3-methoxy-4-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide has a molecular weight of 293.44 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 102957969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).