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

C16H20N4OS — CID 651600

IUPAC2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)NCc1cccs1
InChIInChI=1S/C16H20N4OS/c21-16(18-12-14-4-3-11-22-14)13-19-7-9-20(10-8-19)15-5-1-2-6-17-15/h1-6,11H,7-10,12-13H2,(H,18,21)
InChIKeyPYQFFGPAMRFKPT-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.58
Rot. Bonds5

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

2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 651600) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID651600
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)NCc1cccs1
InChIInChI=1S/C16H20N4OS/c21-16(18-12-14-4-3-11-22-14)13-19-7-9-20(10-8-19)15-5-1-2-6-17-15/h1-6,11H,7-10,12-13H2,(H,18,21)
InChIKeyPYQFFGPAMRFKPT-UHFFFAOYSA-N
XLogP1.58
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 651600) is 2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1CCN(c2ccccn2)CC1)NCc1cccs1.
What is the InChIKey of 2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is PYQFFGPAMRFKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c21-16(18-12-14-4-3-11-22-14)13-19-7-9-20(10-8-19)15-5-1-2-6-17-15/h1-6,11H,7-10,12-13H2,(H,18,21).
What are the key properties of 2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 316.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 651600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).