2-[4-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbothioamide

C15H23N3OS — CID 63977859

IUPAC2-[4-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbothioamide
SMILESCOCC1CCN(c2nc(C)cc(C)c2C(N)=S)CC1
InChIInChI=1S/C15H23N3OS/c1-10-8-11(2)17-15(13(10)14(16)20)18-6-4-12(5-7-18)9-19-3/h8,12H,4-7,9H2,1-3H3,(H2,16,20)
InChIKeyHUWCPSQTQRAQKW-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.20
Rot. Bonds4

About 2-[4-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbothioamide

2-[4-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbothioamide (PubChem CID 63977859) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name2-[4-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbothioamide
PubChem CID63977859
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-[4-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbothioamide
SMILESCOCC1CCN(c2nc(C)cc(C)c2C(N)=S)CC1
InChIInChI=1S/C15H23N3OS/c1-10-8-11(2)17-15(13(10)14(16)20)18-6-4-12(5-7-18)9-19-3/h8,12H,4-7,9H2,1-3H3,(H2,16,20)
InChIKeyHUWCPSQTQRAQKW-UHFFFAOYSA-N
XLogP2.20
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.20
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-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 62930076
2-(3-methoxy-4-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 102957969
2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 114678636
2-(4-ethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 61177677
4,6-dimethyl-2-[4-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 63249057
4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide
CID 61177475
2-(cyclopentylmethoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 66323052
2-(4-butan-2-ylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 62776397
2-(4-hydroxy-4-methylazepan-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 107404636
4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 66801525
4-(cyclopentylmethoxy)-2,6-dimethylpyridine-3-carbothioamide
CID 81053956

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbothioamide (CID 63977859) is 2-[4-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 2-[4-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 2-[4-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbothioamide is COCC1CCN(c2nc(C)cc(C)c2C(N)=S)CC1.
What is the InChIKey of 2-[4-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbothioamide?
The InChIKey is HUWCPSQTQRAQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10-8-11(2)17-15(13(10)14(16)20)18-6-4-12(5-7-18)9-19-3/h8,12H,4-7,9H2,1-3H3,(H2,16,20).
What are the key properties of 2-[4-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbothioamide?
2-[4-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbothioamide has a molecular weight of 293.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 63977859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).