9-[(2R)-2-methyloxolane-2-carbonyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C21H30N4O3 — CID 97127931

About 9-[(2R)-2-methyloxolane-2-carbonyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

9-[(2R)-2-methyloxolane-2-carbonyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97127931) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 9-[(2R)-2-methyloxolane-2-carbonyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 9-[(2R)-2-methyloxolane-2-carbonyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97127931
• Molecular Formula: C21H30N4O3
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.23
• IUPAC Name: 9-[(2R)-2-methyloxolane-2-carbonyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)[C@@]2(C)CCCO2)CC3)cn1
• InChI: InChI=1S/C21H30N4O3/c1-16-12-23-17(13-22-16)14-25-15-21(6-4-18(25)26)7-9-24(10-8-21)19(27)20(2)5-3-11-28-20/h12-13H,3-11,14-15H2,1-2H3/t20-/m1/s1
• InChIKey: OCOWVWNXOPHCPT-HXUWFJFHSA-N
• XLogP: 2.09
• TPSA: 75.63 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[(2R)-2-methyloxolane-2-carbonyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97127931) is 9-[(2R)-2-methyloxolane-2-carbonyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

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

The canonical SMILES for 9-[(2R)-2-methyloxolane-2-carbonyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)[C@@]2(C)CCCO2)CC3)cn1.

What is the InChIKey of 9-[(2R)-2-methyloxolane-2-carbonyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is OCOWVWNXOPHCPT-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-16-12-23-17(13-22-16)14-25-15-21(6-4-18(25)26)7-9-24(10-8-21)19(27)20(2)5-3-11-28-20/h12-13H,3-11,14-15H2,1-2H3/t20-/m1/s1.

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

9-[(2R)-2-methyloxolane-2-carbonyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 386.50 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(2R)-2-methyloxolane-2-carbonyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97127931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).