(6-ethyl-3-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone

C19H29N3O2 — CID 131681940

About (6-ethyl-3-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone

(6-ethyl-3-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 131681940) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (6-ethyl-3-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

• Compound Name: (6-ethyl-3-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
• PubChem CID: 131681940
• Molecular Formula: C19H29N3O2
• Molecular Weight: 331.46 g/mol
• Exact Mass: 331.23
• IUPAC Name: (6-ethyl-3-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
• SMILES: CCc1ccc(C(=O)N2CCC3(CC2)CC(COC)N(C)C3)cn1
• InChI: InChI=1S/C19H29N3O2/c1-4-16-6-5-15(12-20-16)18(23)22-9-7-19(8-10-22)11-17(13-24-3)21(2)14-19/h5-6,12,17H,4,7-11,13-14H2,1-3H3
• InChIKey: AIGPDRQEXGFHLI-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 45.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.46
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6-ethyl-3-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?

The IUPAC name of (6-ethyl-3-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 131681940) is (6-ethyl-3-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone.

What is the SMILES notation for (6-ethyl-3-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?

The canonical SMILES for (6-ethyl-3-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone is CCc1ccc(C(=O)N2CCC3(CC2)CC(COC)N(C)C3)cn1.

What is the InChIKey of (6-ethyl-3-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?

The InChIKey is AIGPDRQEXGFHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-4-16-6-5-15(12-20-16)18(23)22-9-7-19(8-10-22)11-17(13-24-3)21(2)14-19/h5-6,12,17H,4,7-11,13-14H2,1-3H3.

What are the key properties of (6-ethyl-3-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone?

(6-ethyl-3-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 331.46 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6-ethyl-3-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 131681940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).