9-[(2S)-2-hydroxypropyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C18H28N4O2 — CID 97117283

About 9-[(2S)-2-hydroxypropyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

9-[(2S)-2-hydroxypropyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97117283) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 9-[(2S)-2-hydroxypropyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 9-[(2S)-2-hydroxypropyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97117283
• Molecular Formula: C18H28N4O2
• Molecular Weight: 332.45 g/mol
• Exact Mass: 332.22
• IUPAC Name: 9-[(2S)-2-hydroxypropyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1cnc(CN2CC3(CCC2=O)CCN(C[C@H](C)O)CC3)cn1
• InChI: InChI=1S/C18H28N4O2/c1-14-9-20-16(10-19-14)12-22-13-18(4-3-17(22)24)5-7-21(8-6-18)11-15(2)23/h9-10,15,23H,3-8,11-13H2,1-2H3/t15-/m0/s1
• InChIKey: UTYPASZWMFFNOH-HNNXBMFYSA-N
• XLogP: 1.37
• TPSA: 69.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.45
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[(2S)-2-hydroxypropyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97117283) is 9-[(2S)-2-hydroxypropyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

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

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

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

The InChIKey is UTYPASZWMFFNOH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-9-20-16(10-19-14)12-22-13-18(4-3-17(22)24)5-7-21(8-6-18)11-15(2)23/h9-10,15,23H,3-8,11-13H2,1-2H3/t15-/m0/s1.

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

9-[(2S)-2-hydroxypropyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 332.45 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(2S)-2-hydroxypropyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97117283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).