(3S)-8-[(6-methyl-2-pyridinyl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane

C21H27N3O2 — CID 97418316

About (3S)-8-[(6-methyl-2-pyridinyl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane

(3S)-8-[(6-methyl-2-pyridinyl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 97418316) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (3S)-8-[(6-methyl-2-pyridinyl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

• Compound Name: (3S)-8-[(6-methyl-2-pyridinyl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
• PubChem CID: 97418316
• Molecular Formula: C21H27N3O2
• Molecular Weight: 353.47 g/mol
• Exact Mass: 353.21
• IUPAC Name: (3S)-8-[(6-methyl-2-pyridinyl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
• SMILES: Cc1cccc(CN2CCC3(CC2)CO[C@H](COc2cccnc2)C3)n1
• InChI: InChI=1S/C21H27N3O2/c1-17-4-2-5-18(23-17)14-24-10-7-21(8-11-24)12-20(26-16-21)15-25-19-6-3-9-22-13-19/h2-6,9,13,20H,7-8,10-12,14-16H2,1H3/t20-/m0/s1
• InChIKey: LUJMZLLGKJFYSP-FQEVSTJZSA-N
• XLogP: 3.24
• TPSA: 47.48 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.47
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-8-[(6-methyl-2-pyridinyl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?

The IUPAC name of (3S)-8-[(6-methyl-2-pyridinyl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane (CID 97418316) is (3S)-8-[(6-methyl-2-pyridinyl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane.

What is the SMILES notation for (3S)-8-[(6-methyl-2-pyridinyl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?

The canonical SMILES for (3S)-8-[(6-methyl-2-pyridinyl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane is Cc1cccc(CN2CCC3(CC2)CO[C@H](COc2cccnc2)C3)n1.

What is the InChIKey of (3S)-8-[(6-methyl-2-pyridinyl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?

The InChIKey is LUJMZLLGKJFYSP-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-17-4-2-5-18(23-17)14-24-10-7-21(8-11-24)12-20(26-16-21)15-25-19-6-3-9-22-13-19/h2-6,9,13,20H,7-8,10-12,14-16H2,1H3/t20-/m0/s1.

What are the key properties of (3S)-8-[(6-methyl-2-pyridinyl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?

(3S)-8-[(6-methyl-2-pyridinyl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 353.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-8-[(6-methyl-2-pyridinyl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97418316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).