cyclopropyl-[4-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidin-1-yl]methanone

C22H26F2N2O5 — CID 91423051

About cyclopropyl-[4-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidin-1-yl]methanone

cyclopropyl-[4-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidin-1-yl]methanone (PubChem CID 91423051) has the molecular formula C22H26F2N2O5 and a molecular weight of 436.46 g/mol. Its IUPAC name is cyclopropyl-[4-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[4-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidin-1-yl]methanone
• PubChem CID: 91423051
• Molecular Formula: C22H26F2N2O5
• Molecular Weight: 436.46 g/mol
• Exact Mass: 436.18
• IUPAC Name: cyclopropyl-[4-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidin-1-yl]methanone
• SMILES: O=C(C1CC1)N1CCC(Oc2cc(C3=CC4(CCOC4)ON3)ccc2OC(F)F)CC1
• InChI: InChI=1S/C22H26F2N2O5/c23-21(24)30-18-4-3-15(17-12-22(31-25-17)7-10-28-13-22)11-19(18)29-16-5-8-26(9-6-16)20(27)14-1-2-14/h3-4,11-12,14,16,21,25H,1-2,5-10,13H2
• InChIKey: FDWOLMODUHQFCA-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 69.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.46
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidin-1-yl]methanone?

The IUPAC name of cyclopropyl-[4-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidin-1-yl]methanone (CID 91423051) is cyclopropyl-[4-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidin-1-yl]methanone.

What is the SMILES notation for cyclopropyl-[4-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidin-1-yl]methanone?

The canonical SMILES for cyclopropyl-[4-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(Oc2cc(C3=CC4(CCOC4)ON3)ccc2OC(F)F)CC1.

What is the InChIKey of cyclopropyl-[4-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidin-1-yl]methanone?

The InChIKey is FDWOLMODUHQFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O5/c23-21(24)30-18-4-3-15(17-12-22(31-25-17)7-10-28-13-22)11-19(18)29-16-5-8-26(9-6-16)20(27)14-1-2-14/h3-4,11-12,14,16,21,25H,1-2,5-10,13H2.

What are the key properties of cyclopropyl-[4-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidin-1-yl]methanone?

cyclopropyl-[4-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidin-1-yl]methanone has a molecular weight of 436.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[4-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 91423051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).