2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide

C23H30N6OS — CID 22488656

IUPAC2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCC(C)c1cc(N2CCCCC2CC(=O)NCCc2cccs2)nc(-n2ccnc2)n1
InChIInChI=1S/C23H30N6OS/c1-17(2)20-15-21(27-23(26-20)28-12-10-24-16-28)29-11-4-3-6-18(29)14-22(30)25-9-8-19-7-5-13-31-19/h5,7,10,12-13,15-18H,3-4,6,8-9,11,14H2,1-2H3,(H,25,30)
InChIKeyURBIYKRKJYIJCW-UHFFFAOYSA-N
MW438.60 g/mol
LogP3.96
Rot. Bonds8

About 2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide

2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 22488656) has the molecular formula C23H30N6OS and a molecular weight of 438.60 g/mol. Its IUPAC name is 2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID22488656
Molecular FormulaC23H30N6OS
Molecular Weight438.60 g/mol
Exact Mass438.22
IUPAC Name2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCC(C)c1cc(N2CCCCC2CC(=O)NCCc2cccs2)nc(-n2ccnc2)n1
InChIInChI=1S/C23H30N6OS/c1-17(2)20-15-21(27-23(26-20)28-12-10-24-16-28)29-11-4-3-6-18(29)14-22(30)25-9-8-19-7-5-13-31-19/h5,7,10,12-13,15-18H,3-4,6,8-9,11,14H2,1-2H3,(H,25,30)
InChIKeyURBIYKRKJYIJCW-UHFFFAOYSA-N
XLogP3.96
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 22488656) is 2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide is CC(C)c1cc(N2CCCCC2CC(=O)NCCc2cccs2)nc(-n2ccnc2)n1.
What is the InChIKey of 2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is URBIYKRKJYIJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6OS/c1-17(2)20-15-21(27-23(26-20)28-12-10-24-16-28)29-11-4-3-6-18(29)14-22(30)25-9-8-19-7-5-13-31-19/h5,7,10,12-13,15-18H,3-4,6,8-9,11,14H2,1-2H3,(H,25,30).
What are the key properties of 2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 438.60 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 22488656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).