2-methyl-N-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]benzamide

C20H26N4O — CID 136511678

IUPAC2-methyl-N-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]benzamide
SMILESCc1nc(C)c(C)c(N2CCC(NC(=O)c3ccccc3C)CC2)n1
InChIInChI=1S/C20H26N4O/c1-13-7-5-6-8-18(13)20(25)23-17-9-11-24(12-10-17)19-14(2)15(3)21-16(4)22-19/h5-8,17H,9-12H2,1-4H3,(H,23,25)
InChIKeyHUKVWNUMXCZMKA-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.11
Rot. Bonds3

About 2-methyl-N-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]benzamide

2-methyl-N-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]benzamide (PubChem CID 136511678) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-methyl-N-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]benzamide
PubChem CID136511678
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name2-methyl-N-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]benzamide
SMILESCc1nc(C)c(C)c(N2CCC(NC(=O)c3ccccc3C)CC2)n1
InChIInChI=1S/C20H26N4O/c1-13-7-5-6-8-18(13)20(25)23-17-9-11-24(12-10-17)19-14(2)15(3)21-16(4)22-19/h5-8,17H,9-12H2,1-4H3,(H,23,25)
InChIKeyHUKVWNUMXCZMKA-UHFFFAOYSA-N
XLogP3.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]benzamide (CID 136511678) is 2-methyl-N-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]benzamide is Cc1nc(C)c(C)c(N2CCC(NC(=O)c3ccccc3C)CC2)n1.
What is the InChIKey of 2-methyl-N-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]benzamide?
The InChIKey is HUKVWNUMXCZMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13-7-5-6-8-18(13)20(25)23-17-9-11-24(12-10-17)19-14(2)15(3)21-16(4)22-19/h5-8,17H,9-12H2,1-4H3,(H,23,25).
What are the key properties of 2-methyl-N-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]benzamide?
2-methyl-N-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 136511678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).