2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

C19H28N6O2 — CID 83275782

IUPAC2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCOc1nccc(N2CCC(CC(=O)NCc3c(C)nn(C)c3C)CC2)n1
InChIInChI=1S/C19H28N6O2/c1-13-16(14(2)24(3)23-13)12-21-18(26)11-15-6-9-25(10-7-15)17-5-8-20-19(22-17)27-4/h5,8,15H,6-7,9-12H2,1-4H3,(H,21,26)
InChIKeyMDGRUTCTONMHSZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.76
Rot. Bonds6

About 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 83275782) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
PubChem CID83275782
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCOc1nccc(N2CCC(CC(=O)NCc3c(C)nn(C)c3C)CC2)n1
InChIInChI=1S/C19H28N6O2/c1-13-16(14(2)24(3)23-13)12-21-18(26)11-15-6-9-25(10-7-15)17-5-8-20-19(22-17)27-4/h5,8,15H,6-7,9-12H2,1-4H3,(H,21,26)
InChIKeyMDGRUTCTONMHSZ-UHFFFAOYSA-N
XLogP1.76
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (CID 83275782) is 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is COc1nccc(N2CCC(CC(=O)NCc3c(C)nn(C)c3C)CC2)n1.
What is the InChIKey of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is MDGRUTCTONMHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-13-16(14(2)24(3)23-13)12-21-18(26)11-15-6-9-25(10-7-15)17-5-8-20-19(22-17)27-4/h5,8,15H,6-7,9-12H2,1-4H3,(H,21,26).
What are the key properties of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 83275782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).