1-[(3R)-3-(hydroxymethyl)-3-methyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C19H29N3O2 — CID 124966320

About 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-[(3R)-3-(hydroxymethyl)-3-methyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 124966320) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
• PubChem CID: 124966320
• Molecular Formula: C19H29N3O2
• Molecular Weight: 331.46 g/mol
• Exact Mass: 331.23
• IUPAC Name: 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
• SMILES: CC(=O)N1CC2(CCN(Cc3cccc(C)n3)CC2)C[C@]1(C)CO
• InChI: InChI=1S/C19H29N3O2/c1-15-5-4-6-17(20-15)11-21-9-7-19(8-10-21)12-18(3,14-23)22(13-19)16(2)24/h4-6,23H,7-14H2,1-3H3/t18-/m1/s1
• InChIKey: IKYVNMBTXIDHBX-GOSISDBHSA-N
• XLogP: 1.98
• TPSA: 56.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.46
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?

The IUPAC name of 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 124966320) is 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

What is the SMILES notation for 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?

The canonical SMILES for 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone is CC(=O)N1CC2(CCN(Cc3cccc(C)n3)CC2)C[C@]1(C)CO.

What is the InChIKey of 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?

The InChIKey is IKYVNMBTXIDHBX-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-5-4-6-17(20-15)11-21-9-7-19(8-10-21)12-18(3,14-23)22(13-19)16(2)24/h4-6,23H,7-14H2,1-3H3/t18-/m1/s1.

What are the key properties of 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone?

1-[(3R)-3-(hydroxymethyl)-3-methyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 331.46 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 124966320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).