1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

C21H35N5O — CID 51244375

About 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 51244375) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
• PubChem CID: 51244375
• Molecular Formula: C21H35N5O
• Molecular Weight: 373.55 g/mol
• Exact Mass: 373.28
• IUPAC Name: 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
• SMILES: Cc1cc(N2CCN(CC(=O)N3C(C)CCCC3C)CC2)nc(C(C)C)n1
• InChI: InChI=1S/C21H35N5O/c1-15(2)21-22-16(3)13-19(23-21)25-11-9-24(10-12-25)14-20(27)26-17(4)7-6-8-18(26)5/h13,15,17-18H,6-12,14H2,1-5H3
• InChIKey: DVVVNBFPIXKUKG-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 52.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.55
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?

The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone (CID 51244375) is 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone.

What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?

The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone is Cc1cc(N2CCN(CC(=O)N3C(C)CCCC3C)CC2)nc(C(C)C)n1.

What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?

The InChIKey is DVVVNBFPIXKUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O/c1-15(2)21-22-16(3)13-19(23-21)25-11-9-24(10-12-25)14-20(27)26-17(4)7-6-8-18(26)5/h13,15,17-18H,6-12,14H2,1-5H3.

What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?

1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 373.55 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 51244375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).