3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide

C13H20N4O — CID 66509972

IUPAC3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide
SMILESCc1nc(CCC(N)=O)cc(C2CCNCC2)n1
InChIInChI=1S/C13H20N4O/c1-9-16-11(2-3-13(14)18)8-12(17-9)10-4-6-15-7-5-10/h8,10,15H,2-7H2,1H3,(H2,14,18)
InChIKeyXLKWXUDLBSMKKF-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.67
Rot. Bonds4

About 3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide

3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide (PubChem CID 66509972) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide
PubChem CID66509972
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide
SMILESCc1nc(CCC(N)=O)cc(C2CCNCC2)n1
InChIInChI=1S/C13H20N4O/c1-9-16-11(2-3-13(14)18)8-12(17-9)10-4-6-15-7-5-10/h8,10,15H,2-7H2,1H3,(H2,14,18)
InChIKeyXLKWXUDLBSMKKF-UHFFFAOYSA-N
XLogP0.67
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide?
The IUPAC name of 3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide (CID 66509972) is 3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide.
What is the SMILES notation for 3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide?
The canonical SMILES for 3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide is Cc1nc(CCC(N)=O)cc(C2CCNCC2)n1.
What is the InChIKey of 3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide?
The InChIKey is XLKWXUDLBSMKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-16-11(2-3-13(14)18)8-12(17-9)10-4-6-15-7-5-10/h8,10,15H,2-7H2,1H3,(H2,14,18).
What are the key properties of 3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide?
3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide has a molecular weight of 248.33 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide is sourced from PubChem (CID 66509972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).