8-(1,3-dihydroxypropan-2-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C18H28N4O3 — CID 70778789

About 8-(1,3-dihydroxypropan-2-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

8-(1,3-dihydroxypropan-2-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70778789) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 8-(1,3-dihydroxypropan-2-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 8-(1,3-dihydroxypropan-2-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 70778789
• Molecular Formula: C18H28N4O3
• Molecular Weight: 348.45 g/mol
• Exact Mass: 348.22
• IUPAC Name: 8-(1,3-dihydroxypropan-2-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1cnc(CN2CC3(CCCN(C(CO)CO)C3)CCC2=O)cn1
• InChI: InChI=1S/C18H28N4O3/c1-14-7-20-15(8-19-14)9-22-13-18(5-3-17(22)25)4-2-6-21(12-18)16(10-23)11-24/h7-8,16,23-24H,2-6,9-13H2,1H3
• InChIKey: SSJBIORDQJZBNT-UHFFFAOYSA-N
• XLogP: 0.34
• TPSA: 89.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.45
LogP ≤ 5	0.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-dihydroxypropan-2-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 8-(1,3-dihydroxypropan-2-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70778789) is 8-(1,3-dihydroxypropan-2-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 8-(1,3-dihydroxypropan-2-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 8-(1,3-dihydroxypropan-2-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2CC3(CCCN(C(CO)CO)C3)CCC2=O)cn1.

What is the InChIKey of 8-(1,3-dihydroxypropan-2-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is SSJBIORDQJZBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-14-7-20-15(8-19-14)9-22-13-18(5-3-17(22)25)4-2-6-21(12-18)16(10-23)11-24/h7-8,16,23-24H,2-6,9-13H2,1H3.

What are the key properties of 8-(1,3-dihydroxypropan-2-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

8-(1,3-dihydroxypropan-2-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 348.45 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1,3-dihydroxypropan-2-yl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70778789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).