6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide

C14H19N3O2S — CID 63980352

IUPAC6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide
SMILESCOCC1CCN(C(=O)c2ccc(C(N)=S)cn2)CC1
InChIInChI=1S/C14H19N3O2S/c1-19-9-10-4-6-17(7-5-10)14(18)12-3-2-11(8-16-12)13(15)20/h2-3,8,10H,4-7,9H2,1H3,(H2,15,20)
InChIKeyMCQKBXAFZYVJDF-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.21
Rot. Bonds4

About 6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide

6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide (PubChem CID 63980352) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide
PubChem CID63980352
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide
SMILESCOCC1CCN(C(=O)c2ccc(C(N)=S)cn2)CC1
InChIInChI=1S/C14H19N3O2S/c1-19-9-10-4-6-17(7-5-10)14(18)12-3-2-11(8-16-12)13(15)20/h2-3,8,10H,4-7,9H2,1H3,(H2,15,20)
InChIKeyMCQKBXAFZYVJDF-UHFFFAOYSA-N
XLogP1.21
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.21
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

(5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 113268061
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide
CID 79181657
6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748489
methyl 4-[4-(methoxymethyl)piperidine-1-carbonyl]benzoate
CID 121091427
6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 64598709
2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]acetamide
CID 119129466
6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748316
4-[2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzenecarbothioamide
CID 64597300
6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide
CID 63747788
(6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride
CID 119999102
6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748326
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carbothioamide
CID 102932878

Frequently Asked Questions

What is the IUPAC name of 6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide?
The IUPAC name of 6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide (CID 63980352) is 6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide.
What is the SMILES notation for 6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide?
The canonical SMILES for 6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide is COCC1CCN(C(=O)c2ccc(C(N)=S)cn2)CC1.
What is the InChIKey of 6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide?
The InChIKey is MCQKBXAFZYVJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-19-9-10-4-6-17(7-5-10)14(18)12-3-2-11(8-16-12)13(15)20/h2-3,8,10H,4-7,9H2,1H3,(H2,15,20).
What are the key properties of 6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide?
6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide has a molecular weight of 293.39 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methoxymethyl)piperidine-1-carbonyl]pyridine-3-carbothioamide is sourced from PubChem (CID 63980352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).