N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-thiophen-3-ylacetamide

C18H22N4O2S — CID 110117452

IUPACN-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCC(=O)N1CCC(c2nccnc2CNC(=O)Cc2ccsc2)CC1
InChIInChI=1S/C18H22N4O2S/c1-13(23)22-7-2-15(3-8-22)18-16(19-5-6-20-18)11-21-17(24)10-14-4-9-25-12-14/h4-6,9,12,15H,2-3,7-8,10-11H2,1H3,(H,21,24)
InChIKeyNQQISUQDTBKLQG-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.12
Rot. Bonds5

About N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-thiophen-3-ylacetamide

N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 110117452) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-thiophen-3-ylacetamide
PubChem CID110117452
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCC(=O)N1CCC(c2nccnc2CNC(=O)Cc2ccsc2)CC1
InChIInChI=1S/C18H22N4O2S/c1-13(23)22-7-2-15(3-8-22)18-16(19-5-6-20-18)11-21-17(24)10-14-4-9-25-12-14/h4-6,9,12,15H,2-3,7-8,10-11H2,1H3,(H,21,24)
InChIKeyNQQISUQDTBKLQG-UHFFFAOYSA-N
XLogP2.12
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-thiophen-3-ylacetamide (CID 110117452) is N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-thiophen-3-ylacetamide is CC(=O)N1CCC(c2nccnc2CNC(=O)Cc2ccsc2)CC1.
What is the InChIKey of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is NQQISUQDTBKLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-13(23)22-7-2-15(3-8-22)18-16(19-5-6-20-18)11-21-17(24)10-14-4-9-25-12-14/h4-6,9,12,15H,2-3,7-8,10-11H2,1H3,(H,21,24).
What are the key properties of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-thiophen-3-ylacetamide?
N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 358.47 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 110117452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).