3-ethyl-2-(1-methylpiperidin-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C15H25N3O2 — CID 79944609

About 3-ethyl-2-(1-methylpiperidin-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

3-ethyl-2-(1-methylpiperidin-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 79944609) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-ethyl-2-(1-methylpiperidin-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

• Compound Name: 3-ethyl-2-(1-methylpiperidin-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
• PubChem CID: 79944609
• Molecular Formula: C15H25N3O2
• Molecular Weight: 279.38 g/mol
• Exact Mass: 279.19
• IUPAC Name: 3-ethyl-2-(1-methylpiperidin-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
• SMILES: CCC1C(=O)N2CCCC2C(=O)N1C1CCN(C)CC1
• InChI: InChI=1S/C15H25N3O2/c1-3-12-14(19)17-8-4-5-13(17)15(20)18(12)11-6-9-16(2)10-7-11/h11-13H,3-10H2,1-2H3
• InChIKey: KPHKCSLJOOCNBG-UHFFFAOYSA-N
• XLogP: 0.69
• TPSA: 43.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.38
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(1-methylpiperidin-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?

The IUPAC name of 3-ethyl-2-(1-methylpiperidin-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 79944609) is 3-ethyl-2-(1-methylpiperidin-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

What is the SMILES notation for 3-ethyl-2-(1-methylpiperidin-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?

The canonical SMILES for 3-ethyl-2-(1-methylpiperidin-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is CCC1C(=O)N2CCCC2C(=O)N1C1CCN(C)CC1.

What is the InChIKey of 3-ethyl-2-(1-methylpiperidin-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?

The InChIKey is KPHKCSLJOOCNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-12-14(19)17-8-4-5-13(17)15(20)18(12)11-6-9-16(2)10-7-11/h11-13H,3-10H2,1-2H3.

What are the key properties of 3-ethyl-2-(1-methylpiperidin-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?

3-ethyl-2-(1-methylpiperidin-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 279.38 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-2-(1-methylpiperidin-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79944609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).