2-(3-hydroxypiperidin-1-yl)quinoline-4-carbothioamide

C15H17N3OS — CID 63885913

IUPAC2-(3-hydroxypiperidin-1-yl)quinoline-4-carbothioamide
SMILESNC(=S)c1cc(N2CCCC(O)C2)nc2ccccc12
InChIInChI=1S/C15H17N3OS/c16-15(20)12-8-14(18-7-3-4-10(19)9-18)17-13-6-2-1-5-11(12)13/h1-2,5-6,8,10,19H,3-4,7,9H2,(H2,16,20)
InChIKeyZWVJHAPANUBOCD-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.83
Rot. Bonds2

About 2-(3-hydroxypiperidin-1-yl)quinoline-4-carbothioamide

2-(3-hydroxypiperidin-1-yl)quinoline-4-carbothioamide (PubChem CID 63885913) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)quinoline-4-carbothioamide.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)quinoline-4-carbothioamide
PubChem CID63885913
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-(3-hydroxypiperidin-1-yl)quinoline-4-carbothioamide
SMILESNC(=S)c1cc(N2CCCC(O)C2)nc2ccccc12
InChIInChI=1S/C15H17N3OS/c16-15(20)12-8-14(18-7-3-4-10(19)9-18)17-13-6-2-1-5-11(12)13/h1-2,5-6,8,10,19H,3-4,7,9H2,(H2,16,20)
InChIKeyZWVJHAPANUBOCD-UHFFFAOYSA-N
XLogP1.83
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(3-hydroxypiperidin-1-yl)quinoline-4-carbothioamide?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)quinoline-4-carbothioamide (CID 63885913) is 2-(3-hydroxypiperidin-1-yl)quinoline-4-carbothioamide.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)quinoline-4-carbothioamide?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)quinoline-4-carbothioamide is NC(=S)c1cc(N2CCCC(O)C2)nc2ccccc12.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)quinoline-4-carbothioamide?
The InChIKey is ZWVJHAPANUBOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c16-15(20)12-8-14(18-7-3-4-10(19)9-18)17-13-6-2-1-5-11(12)13/h1-2,5-6,8,10,19H,3-4,7,9H2,(H2,16,20).
What are the key properties of 2-(3-hydroxypiperidin-1-yl)quinoline-4-carbothioamide?
2-(3-hydroxypiperidin-1-yl)quinoline-4-carbothioamide has a molecular weight of 287.39 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)quinoline-4-carbothioamide is sourced from PubChem (CID 63885913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).