1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

C12H18N4O — CID 2996976

IUPAC1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C12H18N4O/c1-8-7-9(2)15-12(14-8)16-5-3-10(4-6-16)11(13)17/h7,10H,3-6H2,1-2H3,(H2,13,17)
InChIKeyXELPGXYIOBXPST-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.80
Rot. Bonds2

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

1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 2996976) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID2996976
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C12H18N4O/c1-8-7-9(2)15-12(14-8)16-5-3-10(4-6-16)11(13)17/h7,10H,3-6H2,1-2H3,(H2,13,17)
InChIKeyXELPGXYIOBXPST-UHFFFAOYSA-N
XLogP0.80
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (CID 2996976) is 1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is XELPGXYIOBXPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-7-9(2)15-12(14-8)16-5-3-10(4-6-16)11(13)17/h7,10H,3-6H2,1-2H3,(H2,13,17).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 2996976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).