1'-cyclobutyl-6-[2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]

C22H30N2O3 — CID 58199119

About 1'-cyclobutyl-6-[2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]

1'-cyclobutyl-6-[2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine] (PubChem CID 58199119) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1'-cyclobutyl-6-[2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine].

Molecular Properties

• Compound Name: 1'-cyclobutyl-6-[2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]
• PubChem CID: 58199119
• Molecular Formula: C22H30N2O3
• Molecular Weight: 370.49 g/mol
• Exact Mass: 370.23
• IUPAC Name: 1'-cyclobutyl-6-[2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]
• SMILES: CC1CN=C(CCc2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)O1
• InChI: InChI=1S/C22H30N2O3/c1-16-14-23-21(26-16)8-6-17-5-7-20-18(13-17)15-25-22(27-20)9-11-24(12-10-22)19-3-2-4-19/h5,7,13,16,19H,2-4,6,8-12,14-15H2,1H3
• InChIKey: BYWQNBQLNBYAII-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 43.29 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.49
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1'-cyclobutyl-6-[2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]?

The IUPAC name of 1'-cyclobutyl-6-[2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine] (CID 58199119) is 1'-cyclobutyl-6-[2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine].

What is the SMILES notation for 1'-cyclobutyl-6-[2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]?

The canonical SMILES for 1'-cyclobutyl-6-[2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine] is CC1CN=C(CCc2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)O1.

What is the InChIKey of 1'-cyclobutyl-6-[2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]?

The InChIKey is BYWQNBQLNBYAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-16-14-23-21(26-16)8-6-17-5-7-20-18(13-17)15-25-22(27-20)9-11-24(12-10-22)19-3-2-4-19/h5,7,13,16,19H,2-4,6,8-12,14-15H2,1H3.

What are the key properties of 1'-cyclobutyl-6-[2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]?

1'-cyclobutyl-6-[2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine] has a molecular weight of 370.49 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-cyclobutyl-6-[2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine] is sourced from PubChem (CID 58199119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).