4-piperidin-1-ylpyridine-2-carbothioamide

C11H15N3S — CID 3002239

IUPAC4-piperidin-1-ylpyridine-2-carbothioamide
SMILESNC(=S)c1cc(N2CCCCC2)ccn1
InChIInChI=1S/C11H15N3S/c12-11(15)10-8-9(4-5-13-10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H2,12,15)
InChIKeyUNUCZCNJUXDVOV-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.71
Rot. Bonds2

About 4-piperidin-1-ylpyridine-2-carbothioamide

4-piperidin-1-ylpyridine-2-carbothioamide (PubChem CID 3002239) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-piperidin-1-ylpyridine-2-carbothioamide.

Molecular Properties

Compound Name4-piperidin-1-ylpyridine-2-carbothioamide
PubChem CID3002239
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name4-piperidin-1-ylpyridine-2-carbothioamide
SMILESNC(=S)c1cc(N2CCCCC2)ccn1
InChIInChI=1S/C11H15N3S/c12-11(15)10-8-9(4-5-13-10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H2,12,15)
InChIKeyUNUCZCNJUXDVOV-UHFFFAOYSA-N
XLogP1.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetylpiperazin-1-yl)pyridine-2-carbothioamide
CID 55154931
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
2-(azepan-1-yl)pyrimidine-4-carbothioamide
CID 107546180
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
4-(azepan-1-yl)pyridin-2-amine
CID 21059926
4-(piperidin-1-ylamino)pyridine-2-carbothioamide
CID 83017001
4-[2-(hydroxymethyl)azepan-1-yl]pyridine-2-carbothioamide
CID 116634846
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carbothioamide
CID 55154937
4-pyrrolidin-1-yl-2-(4-pyrrolidin-1-yl-2-pyridinyl)pyridine
CID 11601769
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
1-(4-piperidin-1-yl-2-pyridinyl)-5-(4-pyrrolidin-1-yl-2-pyridinyl)pentane-1,3,5-trione
CID 143079234
6-pyrrolidin-1-ylpyrimidine-4-carbothioamide
CID 130551236

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylpyridine-2-carbothioamide?
The IUPAC name of 4-piperidin-1-ylpyridine-2-carbothioamide (CID 3002239) is 4-piperidin-1-ylpyridine-2-carbothioamide.
What is the SMILES notation for 4-piperidin-1-ylpyridine-2-carbothioamide?
The canonical SMILES for 4-piperidin-1-ylpyridine-2-carbothioamide is NC(=S)c1cc(N2CCCCC2)ccn1.
What is the InChIKey of 4-piperidin-1-ylpyridine-2-carbothioamide?
The InChIKey is UNUCZCNJUXDVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c12-11(15)10-8-9(4-5-13-10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H2,12,15).
What are the key properties of 4-piperidin-1-ylpyridine-2-carbothioamide?
4-piperidin-1-ylpyridine-2-carbothioamide has a molecular weight of 221.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylpyridine-2-carbothioamide is sourced from PubChem (CID 3002239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).