3-(4-piperidin-1-ylpiperidin-1-yl)pyrazine-2-carbothioamide

C15H23N5S — CID 62683600

IUPAC3-(4-piperidin-1-ylpiperidin-1-yl)pyrazine-2-carbothioamide
SMILESNC(=S)c1nccnc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H23N5S/c16-14(21)13-15(18-7-6-17-13)20-10-4-12(5-11-20)19-8-2-1-3-9-19/h6-7,12H,1-5,8-11H2,(H2,16,21)
InChIKeyUHRWAAPOLBJBAJ-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.57
Rot. Bonds3

About 3-(4-piperidin-1-ylpiperidin-1-yl)pyrazine-2-carbothioamide

3-(4-piperidin-1-ylpiperidin-1-yl)pyrazine-2-carbothioamide (PubChem CID 62683600) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 3-(4-piperidin-1-ylpiperidin-1-yl)pyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-(4-piperidin-1-ylpiperidin-1-yl)pyrazine-2-carbothioamide
PubChem CID62683600
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name3-(4-piperidin-1-ylpiperidin-1-yl)pyrazine-2-carbothioamide
SMILESNC(=S)c1nccnc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H23N5S/c16-14(21)13-15(18-7-6-17-13)20-10-4-12(5-11-20)19-8-2-1-3-9-19/h6-7,12H,1-5,8-11H2,(H2,16,21)
InChIKeyUHRWAAPOLBJBAJ-UHFFFAOYSA-N
XLogP1.57
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-(4-piperidin-1-ylpiperidin-1-yl)pyrazine-2-carbothioamide?
The IUPAC name of 3-(4-piperidin-1-ylpiperidin-1-yl)pyrazine-2-carbothioamide (CID 62683600) is 3-(4-piperidin-1-ylpiperidin-1-yl)pyrazine-2-carbothioamide.
What is the SMILES notation for 3-(4-piperidin-1-ylpiperidin-1-yl)pyrazine-2-carbothioamide?
The canonical SMILES for 3-(4-piperidin-1-ylpiperidin-1-yl)pyrazine-2-carbothioamide is NC(=S)c1nccnc1N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 3-(4-piperidin-1-ylpiperidin-1-yl)pyrazine-2-carbothioamide?
The InChIKey is UHRWAAPOLBJBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c16-14(21)13-15(18-7-6-17-13)20-10-4-12(5-11-20)19-8-2-1-3-9-19/h6-7,12H,1-5,8-11H2,(H2,16,21).
What are the key properties of 3-(4-piperidin-1-ylpiperidin-1-yl)pyrazine-2-carbothioamide?
3-(4-piperidin-1-ylpiperidin-1-yl)pyrazine-2-carbothioamide has a molecular weight of 305.45 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-ylpiperidin-1-yl)pyrazine-2-carbothioamide is sourced from PubChem (CID 62683600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).