1-(4-methylpiperidin-1-yl)-2-[4-[6-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone

C22H30N6O — CID 110094098

About 1-(4-methylpiperidin-1-yl)-2-[4-[6-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone

1-(4-methylpiperidin-1-yl)-2-[4-[6-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 110094098) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[4-[6-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(4-methylpiperidin-1-yl)-2-[4-[6-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 110094098
• Molecular Formula: C22H30N6O
• Molecular Weight: 394.52 g/mol
• Exact Mass: 394.25
• IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-[4-[6-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
• SMILES: CC1CCN(C(=O)CN2CCC(c3cncc(Nc4ccccn4)n3)CC2)CC1
• InChI: InChI=1S/C22H30N6O/c1-17-5-12-28(13-6-17)22(29)16-27-10-7-18(8-11-27)19-14-23-15-21(25-19)26-20-4-2-3-9-24-20/h2-4,9,14-15,17-18H,5-8,10-13,16H2,1H3,(H,24,25,26)
• InChIKey: UBOSICXVDUEYSH-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.52
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[4-[6-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[4-[6-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 110094098) is 1-(4-methylpiperidin-1-yl)-2-[4-[6-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[4-[6-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[4-[6-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone is CC1CCN(C(=O)CN2CCC(c3cncc(Nc4ccccn4)n3)CC2)CC1.

What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[4-[6-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?

The InChIKey is UBOSICXVDUEYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-17-5-12-28(13-6-17)22(29)16-27-10-7-18(8-11-27)19-14-23-15-21(25-19)26-20-4-2-3-9-24-20/h2-4,9,14-15,17-18H,5-8,10-13,16H2,1H3,(H,24,25,26).

What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[4-[6-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?

1-(4-methylpiperidin-1-yl)-2-[4-[6-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 394.52 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methylpiperidin-1-yl)-2-[4-[6-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110094098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).