1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide

C13H20N4O — CID 66801680

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cc(C)nc(C)n2)CC1
InChIInChI=1S/C13H20N4O/c1-9-8-12(16-10(2)15-9)17-6-4-11(5-7-17)13(18)14-3/h8,11H,4-7H2,1-3H3,(H,14,18)
InChIKeySHUBDBWOATUFKG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.06
Rot. Bonds2

About 1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide

1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide (PubChem CID 66801680) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
PubChem CID66801680
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cc(C)nc(C)n2)CC1
InChIInChI=1S/C13H20N4O/c1-9-8-12(16-10(2)15-9)17-6-4-11(5-7-17)13(18)14-3/h8,11H,4-7H2,1-3H3,(H,14,18)
InChIKeySHUBDBWOATUFKG-UHFFFAOYSA-N
XLogP1.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide (CID 66801680) is 1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2cc(C)nc(C)n2)CC1.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The InChIKey is SHUBDBWOATUFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-8-12(16-10(2)15-9)17-6-4-11(5-7-17)13(18)14-3/h8,11H,4-7H2,1-3H3,(H,14,18).
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 66801680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).