1-(3,6-dimethylpyrazin-2-yl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide

C18H24N4OS — CID 646756

IUPAC1-(3,6-dimethylpyrazin-2-yl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCc1cnc(C)c(N2CCC(C(=O)NC(C)c3cccs3)CC2)n1
InChIInChI=1S/C18H24N4OS/c1-12-11-19-14(3)17(20-12)22-8-6-15(7-9-22)18(23)21-13(2)16-5-4-10-24-16/h4-5,10-11,13,15H,6-9H2,1-3H3,(H,21,23)
InChIKeyXPJBVMXAMCJPLJ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.25
Rot. Bonds4

About 1-(3,6-dimethylpyrazin-2-yl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide

1-(3,6-dimethylpyrazin-2-yl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 646756) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(3,6-dimethylpyrazin-2-yl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,6-dimethylpyrazin-2-yl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID646756
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-(3,6-dimethylpyrazin-2-yl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCc1cnc(C)c(N2CCC(C(=O)NC(C)c3cccs3)CC2)n1
InChIInChI=1S/C18H24N4OS/c1-12-11-19-14(3)17(20-12)22-8-6-15(7-9-22)18(23)21-13(2)16-5-4-10-24-16/h4-5,10-11,13,15H,6-9H2,1-3H3,(H,21,23)
InChIKeyXPJBVMXAMCJPLJ-UHFFFAOYSA-N
XLogP3.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyrazin-2-yl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,6-dimethylpyrazin-2-yl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 646756) is 1-(3,6-dimethylpyrazin-2-yl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,6-dimethylpyrazin-2-yl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,6-dimethylpyrazin-2-yl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide is Cc1cnc(C)c(N2CCC(C(=O)NC(C)c3cccs3)CC2)n1.
What is the InChIKey of 1-(3,6-dimethylpyrazin-2-yl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is XPJBVMXAMCJPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-12-11-19-14(3)17(20-12)22-8-6-15(7-9-22)18(23)21-13(2)16-5-4-10-24-16/h4-5,10-11,13,15H,6-9H2,1-3H3,(H,21,23).
What are the key properties of 1-(3,6-dimethylpyrazin-2-yl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide?
1-(3,6-dimethylpyrazin-2-yl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyrazin-2-yl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 646756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).