9-(2-hydroxy-4-methylpentanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C21H32N4O3 — CID 72898064

About 9-(2-hydroxy-4-methylpentanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

9-(2-hydroxy-4-methylpentanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72898064) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 9-(2-hydroxy-4-methylpentanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 9-(2-hydroxy-4-methylpentanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 72898064
• Molecular Formula: C21H32N4O3
• Molecular Weight: 388.51 g/mol
• Exact Mass: 388.25
• IUPAC Name: 9-(2-hydroxy-4-methylpentanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)C(O)CC(C)C)CC3)cn1
• InChI: InChI=1S/C21H32N4O3/c1-15(2)10-18(26)20(28)24-8-6-21(7-9-24)5-4-19(27)25(14-21)13-17-12-22-16(3)11-23-17/h11-12,15,18,26H,4-10,13-14H2,1-3H3
• InChIKey: WCWLQOQXXLNTEP-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 86.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.51
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-(2-hydroxy-4-methylpentanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 9-(2-hydroxy-4-methylpentanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72898064) is 9-(2-hydroxy-4-methylpentanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 9-(2-hydroxy-4-methylpentanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 9-(2-hydroxy-4-methylpentanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)C(O)CC(C)C)CC3)cn1.

What is the InChIKey of 9-(2-hydroxy-4-methylpentanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is WCWLQOQXXLNTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-15(2)10-18(26)20(28)24-8-6-21(7-9-24)5-4-19(27)25(14-21)13-17-12-22-16(3)11-23-17/h11-12,15,18,26H,4-10,13-14H2,1-3H3.

What are the key properties of 9-(2-hydroxy-4-methylpentanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

9-(2-hydroxy-4-methylpentanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 388.51 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2-hydroxy-4-methylpentanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72898064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).