[(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C22H32N2O2 — CID 175699469

About [(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 175699469) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is [(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

• Compound Name: [(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
• PubChem CID: 175699469
• Molecular Formula: C22H32N2O2
• Molecular Weight: 356.51 g/mol
• Exact Mass: 356.25
• IUPAC Name: [(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
• SMILES: CC1(O)CC(C(=O)N2CC3(CC[C@@H](c4cccc(C(C)(C)C)n4)C3)C2)C1
• InChI: InChI=1S/C22H32N2O2/c1-20(2,3)18-7-5-6-17(23-18)15-8-9-22(12-15)13-24(14-22)19(25)16-10-21(4,26)11-16/h5-7,15-16,26H,8-14H2,1-4H3/t15-,16?,21?/m1/s1
• InChIKey: AUPHCSIYFZUESP-IZINQKCZSA-N
• XLogP: 3.64
• TPSA: 53.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.51
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The IUPAC name of [(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 175699469) is [(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

What is the SMILES notation for [(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The canonical SMILES for [(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is CC1(O)CC(C(=O)N2CC3(CC[C@@H](c4cccc(C(C)(C)C)n4)C3)C2)C1.

What is the InChIKey of [(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The InChIKey is AUPHCSIYFZUESP-IZINQKCZSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-20(2,3)18-7-5-6-17(23-18)15-8-9-22(12-15)13-24(14-22)19(25)16-10-21(4,26)11-16/h5-7,15-16,26H,8-14H2,1-4H3/t15-,16?,21?/m1/s1.

What are the key properties of [(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

[(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 356.51 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 175699469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).