2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide

C17H22N4O2S — CID 53189237

IUPAC2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1nccc(N2CCC(CC(=O)NCc3cccs3)CC2)n1
InChIInChI=1S/C17H22N4O2S/c1-23-17-18-7-4-15(20-17)21-8-5-13(6-9-21)11-16(22)19-12-14-3-2-10-24-14/h2-4,7,10,13H,5-6,8-9,11-12H2,1H3,(H,19,22)
InChIKeyWPCRWMCAGUGOGB-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.47
Rot. Bonds6

About 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 53189237) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID53189237
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1nccc(N2CCC(CC(=O)NCc3cccs3)CC2)n1
InChIInChI=1S/C17H22N4O2S/c1-23-17-18-7-4-15(20-17)21-8-5-13(6-9-21)11-16(22)19-12-14-3-2-10-24-14/h2-4,7,10,13H,5-6,8-9,11-12H2,1H3,(H,19,22)
InChIKeyWPCRWMCAGUGOGB-UHFFFAOYSA-N
XLogP2.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 53189237) is 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide is COc1nccc(N2CCC(CC(=O)NCc3cccs3)CC2)n1.
What is the InChIKey of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is WPCRWMCAGUGOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-23-17-18-7-4-15(20-17)21-8-5-13(6-9-21)11-16(22)19-12-14-3-2-10-24-14/h2-4,7,10,13H,5-6,8-9,11-12H2,1H3,(H,19,22).
What are the key properties of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 346.46 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 53189237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).