(4,4-dimethylpiperidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone

C13H20N4O — CID 114035906

IUPAC(4,4-dimethylpiperidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone
SMILESCNc1cncc(C(=O)N2CCC(C)(C)CC2)n1
InChIInChI=1S/C13H20N4O/c1-13(2)4-6-17(7-5-13)12(18)10-8-15-9-11(14-3)16-10/h8-9H,4-7H2,1-3H3,(H,14,16)
InChIKeyVUVYORCOLVMXLH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.78
Rot. Bonds2

About (4,4-dimethylpiperidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone

(4,4-dimethylpiperidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone (PubChem CID 114035906) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (4,4-dimethylpiperidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(4,4-dimethylpiperidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone
PubChem CID114035906
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(4,4-dimethylpiperidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone
SMILESCNc1cncc(C(=O)N2CCC(C)(C)CC2)n1
InChIInChI=1S/C13H20N4O/c1-13(2)4-6-17(7-5-13)12(18)10-8-15-9-11(14-3)16-10/h8-9H,4-7H2,1-3H3,(H,14,16)
InChIKeyVUVYORCOLVMXLH-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylpiperidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone?
The IUPAC name of (4,4-dimethylpiperidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone (CID 114035906) is (4,4-dimethylpiperidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for (4,4-dimethylpiperidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone?
The canonical SMILES for (4,4-dimethylpiperidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone is CNc1cncc(C(=O)N2CCC(C)(C)CC2)n1.
What is the InChIKey of (4,4-dimethylpiperidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone?
The InChIKey is VUVYORCOLVMXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-13(2)4-6-17(7-5-13)12(18)10-8-15-9-11(14-3)16-10/h8-9H,4-7H2,1-3H3,(H,14,16).
What are the key properties of (4,4-dimethylpiperidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone?
(4,4-dimethylpiperidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone has a molecular weight of 248.33 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylpiperidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 114035906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).