[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-propan-2-ylpyrazol-3-yl)methanone

C22H30N4O2 — CID 124958394

About [(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-propan-2-ylpyrazol-3-yl)methanone

[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 124958394) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is [(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

• Compound Name: [(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
• PubChem CID: 124958394
• Molecular Formula: C22H30N4O2
• Molecular Weight: 382.51 g/mol
• Exact Mass: 382.24
• IUPAC Name: [(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
• SMILES: CC(C)n1nccc1C(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccccc1)CO2
• InChI: InChI=1S/C22H30N4O2/c1-17(2)26-20(9-12-23-26)21(27)25-13-10-22(11-14-25)15-19(16-28-22)24(3)18-7-5-4-6-8-18/h4-9,12,17,19H,10-11,13-16H2,1-3H3/t19-/m1/s1
• InChIKey: GFYBYYJMJLMUDE-LJQANCHMSA-N
• XLogP: 3.36
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.51
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?

The IUPAC name of [(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-propan-2-ylpyrazol-3-yl)methanone (CID 124958394) is [(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-propan-2-ylpyrazol-3-yl)methanone.

What is the SMILES notation for [(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?

The canonical SMILES for [(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-propan-2-ylpyrazol-3-yl)methanone is CC(C)n1nccc1C(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccccc1)CO2.

What is the InChIKey of [(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?

The InChIKey is GFYBYYJMJLMUDE-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17(2)26-20(9-12-23-26)21(27)25-13-10-22(11-14-25)15-19(16-28-22)24(3)18-7-5-4-6-8-18/h4-9,12,17,19H,10-11,13-16H2,1-3H3/t19-/m1/s1.

What are the key properties of [(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?

[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 382.51 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 124958394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).