cyclopent-3-en-1-yl-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone

C21H27FN2O — CID 97449570

IUPACcyclopent-3-en-1-yl-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C(C1CC=CC1)N1CCC2(CCN(Cc3cccc(F)c3)CC2)C1
InChIInChI=1S/C21H27FN2O/c22-19-7-3-4-17(14-19)15-23-11-8-21(9-12-23)10-13-24(16-21)20(25)18-5-1-2-6-18/h1-4,7,14,18H,5-6,8-13,15-16H2
InChIKeyYSRKGGGDDNEJIL-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.61
Rot. Bonds3

About cyclopent-3-en-1-yl-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone

cyclopent-3-en-1-yl-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 97449570) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID97449570
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Namecyclopent-3-en-1-yl-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C(C1CC=CC1)N1CCC2(CCN(Cc3cccc(F)c3)CC2)C1
InChIInChI=1S/C21H27FN2O/c22-19-7-3-4-17(14-19)15-23-11-8-21(9-12-23)10-13-24(16-21)20(25)18-5-1-2-6-18/h1-4,7,14,18H,5-6,8-13,15-16H2
InChIKeyYSRKGGGDDNEJIL-UHFFFAOYSA-N
XLogP3.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone (CID 97449570) is cyclopent-3-en-1-yl-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone is O=C(C1CC=CC1)N1CCC2(CCN(Cc3cccc(F)c3)CC2)C1.
What is the InChIKey of cyclopent-3-en-1-yl-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is YSRKGGGDDNEJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c22-19-7-3-4-17(14-19)15-23-11-8-21(9-12-23)10-13-24(16-21)20(25)18-5-1-2-6-18/h1-4,7,14,18H,5-6,8-13,15-16H2.
What are the key properties of cyclopent-3-en-1-yl-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone?
cyclopent-3-en-1-yl-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 342.46 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 97449570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).