2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide

C25H32N6O — CID 69347703

IUPAC2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CC2CCCCN2c2cc(C)nc(CCn3ccnc3)n2)cc1
InChIInChI=1S/C25H32N6O/c1-19-6-8-21(9-7-19)17-27-25(32)16-22-5-3-4-12-31(22)24-15-20(2)28-23(29-24)10-13-30-14-11-26-18-30/h6-9,11,14-15,18,22H,3-5,10,12-13,16-17H2,1-2H3,(H,27,32)
InChIKeyRUTXUFCDENPZKX-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.60
Rot. Bonds8

About 2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 69347703) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID69347703
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CC2CCCCN2c2cc(C)nc(CCn3ccnc3)n2)cc1
InChIInChI=1S/C25H32N6O/c1-19-6-8-21(9-7-19)17-27-25(32)16-22-5-3-4-12-31(22)24-15-20(2)28-23(29-24)10-13-30-14-11-26-18-30/h6-9,11,14-15,18,22H,3-5,10,12-13,16-17H2,1-2H3,(H,27,32)
InChIKeyRUTXUFCDENPZKX-UHFFFAOYSA-N
XLogP3.60
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 69347703) is 2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CC2CCCCN2c2cc(C)nc(CCn3ccnc3)n2)cc1.
What is the InChIKey of 2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is RUTXUFCDENPZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-19-6-8-21(9-7-19)17-27-25(32)16-22-5-3-4-12-31(22)24-15-20(2)28-23(29-24)10-13-30-14-11-26-18-30/h6-9,11,14-15,18,22H,3-5,10,12-13,16-17H2,1-2H3,(H,27,32).
What are the key properties of 2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 432.57 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 69347703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).