2-[1-(5-ethyl-2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide

C23H30N6OS — CID 54266912

IUPAC2-[1-(5-ethyl-2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCCc1c(C)nc(-n2ccnc2)nc1N1CCCCC1CC(=O)NCCc1cccs1
InChIInChI=1S/C23H30N6OS/c1-3-20-17(2)26-23(28-13-11-24-16-28)27-22(20)29-12-5-4-7-18(29)15-21(30)25-10-9-19-8-6-14-31-19/h6,8,11,13-14,16,18H,3-5,7,9-10,12,15H2,1-2H3,(H,25,30)
InChIKeyRHKBKEHWOFAYCF-UHFFFAOYSA-N
MW438.60 g/mol
LogP3.70
Rot. Bonds8

About 2-[1-(5-ethyl-2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide

2-[1-(5-ethyl-2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 54266912) has the molecular formula C23H30N6OS and a molecular weight of 438.60 g/mol. Its IUPAC name is 2-[1-(5-ethyl-2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(5-ethyl-2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID54266912
Molecular FormulaC23H30N6OS
Molecular Weight438.60 g/mol
Exact Mass438.22
IUPAC Name2-[1-(5-ethyl-2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCCc1c(C)nc(-n2ccnc2)nc1N1CCCCC1CC(=O)NCCc1cccs1
InChIInChI=1S/C23H30N6OS/c1-3-20-17(2)26-23(28-13-11-24-16-28)27-22(20)29-12-5-4-7-18(29)15-21(30)25-10-9-19-8-6-14-31-19/h6,8,11,13-14,16,18H,3-5,7,9-10,12,15H2,1-2H3,(H,25,30)
InChIKeyRHKBKEHWOFAYCF-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethyl-2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[1-(5-ethyl-2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 54266912) is 2-[1-(5-ethyl-2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[1-(5-ethyl-2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[1-(5-ethyl-2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide is CCc1c(C)nc(-n2ccnc2)nc1N1CCCCC1CC(=O)NCCc1cccs1.
What is the InChIKey of 2-[1-(5-ethyl-2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is RHKBKEHWOFAYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6OS/c1-3-20-17(2)26-23(28-13-11-24-16-28)27-22(20)29-12-5-4-7-18(29)15-21(30)25-10-9-19-8-6-14-31-19/h6,8,11,13-14,16,18H,3-5,7,9-10,12,15H2,1-2H3,(H,25,30).
What are the key properties of 2-[1-(5-ethyl-2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[1-(5-ethyl-2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 438.60 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethyl-2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 54266912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).