N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide

C19H24N4O — CID 136577669

IUPACN-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide
SMILESCc1cc(C)nc(N2CCC(NC(=O)c3ccccc3C)CC2)n1
InChIInChI=1S/C19H24N4O/c1-13-6-4-5-7-17(13)18(24)22-16-8-10-23(11-9-16)19-20-14(2)12-15(3)21-19/h4-7,12,16H,8-11H2,1-3H3,(H,22,24)
InChIKeyVWFXRNXERDCGSL-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.80
Rot. Bonds3

About N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide

N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide (PubChem CID 136577669) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide
PubChem CID136577669
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide
SMILESCc1cc(C)nc(N2CCC(NC(=O)c3ccccc3C)CC2)n1
InChIInChI=1S/C19H24N4O/c1-13-6-4-5-7-17(13)18(24)22-16-8-10-23(11-9-16)19-20-14(2)12-15(3)21-19/h4-7,12,16H,8-11H2,1-3H3,(H,22,24)
InChIKeyVWFXRNXERDCGSL-UHFFFAOYSA-N
XLogP2.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]benzamide
CID 136511678
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
2-methyl-N-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]benzamide
CID 47053984
N-[1-(2-fluoro-4-nitrophenyl)piperidin-4-yl]-2-methylbenzamide
CID 47053983
2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide
CID 46037808
2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 47085916
N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-methylbenzamide
CID 134796384
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide (CID 136577669) is N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide is Cc1cc(C)nc(N2CCC(NC(=O)c3ccccc3C)CC2)n1.
What is the InChIKey of N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide?
The InChIKey is VWFXRNXERDCGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13-6-4-5-7-17(13)18(24)22-16-8-10-23(11-9-16)19-20-14(2)12-15(3)21-19/h4-7,12,16H,8-11H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide?
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide has a molecular weight of 324.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 136577669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).