2-cyclopropyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

C21H30N2O3 — CID 97422991

About 2-cyclopropyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

2-cyclopropyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (PubChem CID 97422991) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

• Compound Name: 2-cyclopropyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
• PubChem CID: 97422991
• Molecular Formula: C21H30N2O3
• Molecular Weight: 358.48 g/mol
• Exact Mass: 358.23
• IUPAC Name: 2-cyclopropyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
• SMILES: Cc1cccc(COC[C@H]2CC3(CCN(C(=O)CC4CC4)CC3)CO2)n1
• InChI: InChI=1S/C21H30N2O3/c1-16-3-2-4-18(22-16)13-25-14-19-12-21(15-26-19)7-9-23(10-8-21)20(24)11-17-5-6-17/h2-4,17,19H,5-15H2,1H3/t19-/m1/s1
• InChIKey: PTZGPISKGWJRDD-LJQANCHMSA-N
• XLogP: 3.10
• TPSA: 51.66 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.48
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?

The IUPAC name of 2-cyclopropyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (CID 97422991) is 2-cyclopropyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.

What is the SMILES notation for 2-cyclopropyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?

The canonical SMILES for 2-cyclopropyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is Cc1cccc(COC[C@H]2CC3(CCN(C(=O)CC4CC4)CC3)CO2)n1.

What is the InChIKey of 2-cyclopropyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?

The InChIKey is PTZGPISKGWJRDD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-16-3-2-4-18(22-16)13-25-14-19-12-21(15-26-19)7-9-23(10-8-21)20(24)11-17-5-6-17/h2-4,17,19H,5-15H2,1H3/t19-/m1/s1.

What are the key properties of 2-cyclopropyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?

2-cyclopropyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 358.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 97422991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).