11-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C21H28N6O3 — CID 156610610

About 11-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

11-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 156610610) has the molecular formula C21H28N6O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 11-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

• Compound Name: 11-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
• PubChem CID: 156610610
• Molecular Formula: C21H28N6O3
• Molecular Weight: 412.49 g/mol
• Exact Mass: 412.22
• IUPAC Name: 11-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
• SMILES: O=C(c1cnccn1)N1CCN(C(=O)N2CC3CC(C2)C2CCCC(=O)N2C3)CC1
• InChI: InChI=1S/C21H28N6O3/c28-19-3-1-2-18-16-10-15(13-27(18)19)12-26(14-16)21(30)25-8-6-24(7-9-25)20(29)17-11-22-4-5-23-17/h4-5,11,15-16,18H,1-3,6-10,12-14H2
• InChIKey: SYDMJVJAJKHAGD-UHFFFAOYSA-N
• XLogP: 0.69
• TPSA: 89.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.49
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 11-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?

The IUPAC name of 11-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 156610610) is 11-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

What is the SMILES notation for 11-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?

The canonical SMILES for 11-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is O=C(c1cnccn1)N1CCN(C(=O)N2CC3CC(C2)C2CCCC(=O)N2C3)CC1.

What is the InChIKey of 11-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?

The InChIKey is SYDMJVJAJKHAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3/c28-19-3-1-2-18-16-10-15(13-27(18)19)12-26(14-16)21(30)25-8-6-24(7-9-25)20(29)17-11-22-4-5-23-17/h4-5,11,15-16,18H,1-3,6-10,12-14H2.

What are the key properties of 11-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?

11-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 412.49 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 156610610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).