(3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone

C13H20N4O2 — CID 107394944

IUPAC(3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone
SMILESCNc1cnc(C(=O)N2CCCC(C)(OC)C2)cn1
InChIInChI=1S/C13H20N4O2/c1-13(19-3)5-4-6-17(9-13)12(18)10-7-16-11(14-2)8-15-10/h7-8H,4-6,9H2,1-3H3,(H,14,16)
InChIKeyPVFKNYKCGFLFFH-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.16
Rot. Bonds3

About (3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone

(3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone (PubChem CID 107394944) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone
PubChem CID107394944
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone
SMILESCNc1cnc(C(=O)N2CCCC(C)(OC)C2)cn1
InChIInChI=1S/C13H20N4O2/c1-13(19-3)5-4-6-17(9-13)12(18)10-7-16-11(14-2)8-15-10/h7-8H,4-6,9H2,1-3H3,(H,14,16)
InChIKeyPVFKNYKCGFLFFH-UHFFFAOYSA-N
XLogP1.16
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxy-3-methylpiperidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone
CID 107394862
azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374083
(3,4-dimethoxypyrrolidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone
CID 107377317
(2,2-dimethylmorpholin-4-yl)-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374614
5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 107393911
[5-chloro-2-(ethylamino)-4-pyridinyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394875
[(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 124679751
(4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392960
(2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392246
(5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394146
(3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470761
[5-(methylamino)pyrazin-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114238348

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone?
The IUPAC name of (3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone (CID 107394944) is (3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for (3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone?
The canonical SMILES for (3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone is CNc1cnc(C(=O)N2CCCC(C)(OC)C2)cn1.
What is the InChIKey of (3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone?
The InChIKey is PVFKNYKCGFLFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(19-3)5-4-6-17(9-13)12(18)10-7-16-11(14-2)8-15-10/h7-8H,4-6,9H2,1-3H3,(H,14,16).
What are the key properties of (3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone?
(3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone has a molecular weight of 264.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 107394944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).