4-pyridin-4-ylpiperidine-1-carbothioamide

C11H15N3S — CID 154522101

IUPAC4-pyridin-4-ylpiperidine-1-carbothioamide
SMILESNC(=S)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C11H15N3S/c12-11(15)14-7-3-10(4-8-14)9-1-5-13-6-2-9/h1-2,5-6,10H,3-4,7-8H2,(H2,12,15)
InChIKeyFNUAYCBRECAXNO-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.50
Rot. Bonds1

About 4-pyridin-4-ylpiperidine-1-carbothioamide

4-pyridin-4-ylpiperidine-1-carbothioamide (PubChem CID 154522101) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-pyridin-4-ylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name4-pyridin-4-ylpiperidine-1-carbothioamide
PubChem CID154522101
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name4-pyridin-4-ylpiperidine-1-carbothioamide
SMILESNC(=S)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C11H15N3S/c12-11(15)14-7-3-10(4-8-14)9-1-5-13-6-2-9/h1-2,5-6,10H,3-4,7-8H2,(H2,12,15)
InChIKeyFNUAYCBRECAXNO-UHFFFAOYSA-N
XLogP1.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-ylpiperidine-1-carbothioamide?
The IUPAC name of 4-pyridin-4-ylpiperidine-1-carbothioamide (CID 154522101) is 4-pyridin-4-ylpiperidine-1-carbothioamide.
What is the SMILES notation for 4-pyridin-4-ylpiperidine-1-carbothioamide?
The canonical SMILES for 4-pyridin-4-ylpiperidine-1-carbothioamide is NC(=S)N1CCC(c2ccncc2)CC1.
What is the InChIKey of 4-pyridin-4-ylpiperidine-1-carbothioamide?
The InChIKey is FNUAYCBRECAXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c12-11(15)14-7-3-10(4-8-14)9-1-5-13-6-2-9/h1-2,5-6,10H,3-4,7-8H2,(H2,12,15).
What are the key properties of 4-pyridin-4-ylpiperidine-1-carbothioamide?
4-pyridin-4-ylpiperidine-1-carbothioamide has a molecular weight of 221.33 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-ylpiperidine-1-carbothioamide is sourced from PubChem (CID 154522101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).