1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane

C22H41N3O — CID 153320481

About 1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane

1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane (PubChem CID 153320481) has the molecular formula C22H41N3O and a molecular weight of 363.59 g/mol. Its IUPAC name is 1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane.

Molecular Properties

• Compound Name: 1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane
• PubChem CID: 153320481
• Molecular Formula: C22H41N3O
• Molecular Weight: 363.59 g/mol
• Exact Mass: 363.32
• IUPAC Name: 1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane
• SMILES: CC(C)N1CCC(CN2CC3(CCN3C3CC(OC(C)(C)C)C3)C2)CC1
• InChI: InChI=1S/C22H41N3O/c1-17(2)24-9-6-18(7-10-24)14-23-15-22(16-23)8-11-25(22)19-12-20(13-19)26-21(3,4)5/h17-20H,6-16H2,1-5H3
• InChIKey: LISNMAQOZFWDDK-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 18.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.59
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane?

The IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane (CID 153320481) is 1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane.

What is the SMILES notation for 1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane?

The canonical SMILES for 1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane is CC(C)N1CCC(CN2CC3(CCN3C3CC(OC(C)(C)C)C3)C2)CC1.

What is the InChIKey of 1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane?

The InChIKey is LISNMAQOZFWDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N3O/c1-17(2)24-9-6-18(7-10-24)14-23-15-22(16-23)8-11-25(22)19-12-20(13-19)26-21(3,4)5/h17-20H,6-16H2,1-5H3.

What are the key properties of 1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane?

1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane has a molecular weight of 363.59 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 153320481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).