(2R)-1-[7-[(5-cyclopropyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-2-(hydroxymethyl)butan-1-one

C21H30N2O3 — CID 170374502

About (2R)-1-[7-[(5-cyclopropyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-2-(hydroxymethyl)butan-1-one

(2R)-1-[7-[(5-cyclopropyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-2-(hydroxymethyl)butan-1-one (PubChem CID 170374502) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is (2R)-1-[7-[(5-cyclopropyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-2-(hydroxymethyl)butan-1-one.

Molecular Properties

• Compound Name: (2R)-1-[7-[(5-cyclopropyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-2-(hydroxymethyl)butan-1-one
• PubChem CID: 170374502
• Molecular Formula: C21H30N2O3
• Molecular Weight: 358.48 g/mol
• Exact Mass: 358.23
• IUPAC Name: (2R)-1-[7-[(5-cyclopropyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-2-(hydroxymethyl)butan-1-one
• SMILES: CC[C@H](CO)C(=O)N1CC2(CCC(Oc3ccc(C4CC4)cn3)CC2)C1
• InChI: InChI=1S/C21H30N2O3/c1-2-15(12-24)20(25)23-13-21(14-23)9-7-18(8-10-21)26-19-6-5-17(11-22-19)16-3-4-16/h5-6,11,15-16,18,24H,2-4,7-10,12-14H2,1H3/t15-/m1/s1
• InChIKey: FQJPOMKCCAAABP-OAHLLOKOSA-N
• XLogP: 3.13
• TPSA: 62.66 Ų
• H-Bond Donors: 1
• 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	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[7-[(5-cyclopropyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-2-(hydroxymethyl)butan-1-one?

The IUPAC name of (2R)-1-[7-[(5-cyclopropyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-2-(hydroxymethyl)butan-1-one (CID 170374502) is (2R)-1-[7-[(5-cyclopropyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-2-(hydroxymethyl)butan-1-one.

What is the SMILES notation for (2R)-1-[7-[(5-cyclopropyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-2-(hydroxymethyl)butan-1-one?

The canonical SMILES for (2R)-1-[7-[(5-cyclopropyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-2-(hydroxymethyl)butan-1-one is CC[C@H](CO)C(=O)N1CC2(CCC(Oc3ccc(C4CC4)cn3)CC2)C1.

What is the InChIKey of (2R)-1-[7-[(5-cyclopropyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-2-(hydroxymethyl)butan-1-one?

The InChIKey is FQJPOMKCCAAABP-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-2-15(12-24)20(25)23-13-21(14-23)9-7-18(8-10-21)26-19-6-5-17(11-22-19)16-3-4-16/h5-6,11,15-16,18,24H,2-4,7-10,12-14H2,1H3/t15-/m1/s1.

What are the key properties of (2R)-1-[7-[(5-cyclopropyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-2-(hydroxymethyl)butan-1-one?

(2R)-1-[7-[(5-cyclopropyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-2-(hydroxymethyl)butan-1-one has a molecular weight of 358.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[7-[(5-cyclopropyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-2-(hydroxymethyl)butan-1-one is sourced from PubChem (CID 170374502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).