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

C23H32N6O — CID 110093108

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

1-(4-methylpiperidin-1-yl)-2-[4-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 110093108) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[4-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(4-methylpiperidin-1-yl)-2-[4-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
• PubChem CID: 110093108
• Molecular Formula: C23H32N6O
• Molecular Weight: 408.55 g/mol
• Exact Mass: 408.26
• IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-[4-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
• SMILES: Cc1cc(Nc2cnccn2)cc(C2CCN(CC(=O)N3CCC(C)CC3)CC2)n1
• InChI: InChI=1S/C23H32N6O/c1-17-3-11-29(12-4-17)23(30)16-28-9-5-19(6-10-28)21-14-20(13-18(2)26-21)27-22-15-24-7-8-25-22/h7-8,13-15,17,19H,3-6,9-12,16H2,1-2H3,(H,25,26,27)
• InChIKey: VXLSECWUBBZRKM-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.55
LogP ≤ 5	3.36
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-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?

The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[4-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone (CID 110093108) is 1-(4-methylpiperidin-1-yl)-2-[4-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone.

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

The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[4-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone is Cc1cc(Nc2cnccn2)cc(C2CCN(CC(=O)N3CCC(C)CC3)CC2)n1.

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

The InChIKey is VXLSECWUBBZRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-17-3-11-29(12-4-17)23(30)16-28-9-5-19(6-10-28)21-14-20(13-18(2)26-21)27-22-15-24-7-8-25-22/h7-8,13-15,17,19H,3-6,9-12,16H2,1-2H3,(H,25,26,27).

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

1-(4-methylpiperidin-1-yl)-2-[4-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 408.55 g/mol, XLogP of 3.36, 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-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110093108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).