2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

C15H19N5OS — CID 35011271

IUPAC2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(c2cnccn2)CC1)NCc1cccs1
InChIInChI=1S/C15H19N5OS/c21-15(18-10-13-2-1-9-22-13)12-19-5-7-20(8-6-19)14-11-16-3-4-17-14/h1-4,9,11H,5-8,10,12H2,(H,18,21)
InChIKeyJFJAXWHUDRGNTR-UHFFFAOYSA-N
MW317.42 g/mol
LogP0.98
Rot. Bonds5

About 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 35011271) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID35011271
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(c2cnccn2)CC1)NCc1cccs1
InChIInChI=1S/C15H19N5OS/c21-15(18-10-13-2-1-9-22-13)12-19-5-7-20(8-6-19)14-11-16-3-4-17-14/h1-4,9,11H,5-8,10,12H2,(H,18,21)
InChIKeyJFJAXWHUDRGNTR-UHFFFAOYSA-N
XLogP0.98
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 154886466
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30746228
N-(2-cyanoethyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 43061951
2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 16667942
N-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167877
N-[2-(2-methoxyphenyl)ethyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146911
2-[4-(fluoromethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 171701259
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110123769
N-(2-thiophen-2-ylethyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 9040790
N-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 42891215
2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 97186385

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 35011271) is 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1CCN(c2cnccn2)CC1)NCc1cccs1.
What is the InChIKey of 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is JFJAXWHUDRGNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c21-15(18-10-13-2-1-9-22-13)12-19-5-7-20(8-6-19)14-11-16-3-4-17-14/h1-4,9,11H,5-8,10,12H2,(H,18,21).
What are the key properties of 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 317.42 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 35011271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).