1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide

C22H31N7O4 — CID 162990141

About 1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide

1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide (PubChem CID 162990141) has the molecular formula C22H31N7O4 and a molecular weight of 457.54 g/mol. Its IUPAC name is 1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide
• PubChem CID: 162990141
• Molecular Formula: C22H31N7O4
• Molecular Weight: 457.54 g/mol
• Exact Mass: 457.24
• IUPAC Name: 1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide
• SMILES: O=C1NCCCC1NC(=O)C1CN(C(=O)NC2CCCCC2)CCN1C(=O)c1cnccn1
• InChI: InChI=1S/C22H31N7O4/c30-19-16(7-4-8-25-19)27-20(31)18-14-28(22(33)26-15-5-2-1-3-6-15)11-12-29(18)21(32)17-13-23-9-10-24-17/h9-10,13,15-16,18H,1-8,11-12,14H2,(H,25,30)(H,26,33)(H,27,31)
• InChIKey: UWBHOEKIVMFWRG-UHFFFAOYSA-N
• XLogP: 0.04
• TPSA: 136.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.54
LogP ≤ 5	0.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide?

The IUPAC name of 1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide (CID 162990141) is 1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide.

What is the SMILES notation for 1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide?

The canonical SMILES for 1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide is O=C1NCCCC1NC(=O)C1CN(C(=O)NC2CCCCC2)CCN1C(=O)c1cnccn1.

What is the InChIKey of 1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide?

The InChIKey is UWBHOEKIVMFWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O4/c30-19-16(7-4-8-25-19)27-20(31)18-14-28(22(33)26-15-5-2-1-3-6-15)11-12-29(18)21(32)17-13-23-9-10-24-17/h9-10,13,15-16,18H,1-8,11-12,14H2,(H,25,30)(H,26,33)(H,27,31).

What are the key properties of 1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide?

1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide has a molecular weight of 457.54 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide is sourced from PubChem (CID 162990141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).