cyclopenten-1-yl-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

C21H26F2N2O — CID 45186865

About cyclopenten-1-yl-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

cyclopenten-1-yl-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 45186865) has the molecular formula C21H26F2N2O and a molecular weight of 360.45 g/mol. Its IUPAC name is cyclopenten-1-yl-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

• Compound Name: cyclopenten-1-yl-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
• PubChem CID: 45186865
• Molecular Formula: C21H26F2N2O
• Molecular Weight: 360.45 g/mol
• Exact Mass: 360.20
• IUPAC Name: cyclopenten-1-yl-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
• SMILES: O=C(C1=CCCC1)N1CCC2(CCCN(Cc3ccc(F)c(F)c3)C2)C1
• InChI: InChI=1S/C21H26F2N2O/c22-18-7-6-16(12-19(18)23)13-24-10-3-8-21(14-24)9-11-25(15-21)20(26)17-4-1-2-5-17/h4,6-7,12H,1-3,5,8-11,13-15H2
• InChIKey: MQZTZGAWXQBSSQ-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 23.55 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.45
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?

The IUPAC name of cyclopenten-1-yl-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 45186865) is cyclopenten-1-yl-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.

What is the SMILES notation for cyclopenten-1-yl-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?

The canonical SMILES for cyclopenten-1-yl-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is O=C(C1=CCCC1)N1CCC2(CCCN(Cc3ccc(F)c(F)c3)C2)C1.

What is the InChIKey of cyclopenten-1-yl-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?

The InChIKey is MQZTZGAWXQBSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O/c22-18-7-6-16(12-19(18)23)13-24-10-3-8-21(14-24)9-11-25(15-21)20(26)17-4-1-2-5-17/h4,6-7,12H,1-3,5,8-11,13-15H2.

What are the key properties of cyclopenten-1-yl-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?

cyclopenten-1-yl-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 360.45 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopenten-1-yl-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 45186865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).