8-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one

C21H30FN3O — CID 97493820

IUPAC8-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(Cc3ccc(F)cc3)CC2)N1CCN1CCCC1
InChIInChI=1S/C21H30FN3O/c22-19-5-3-18(4-6-19)17-24-13-9-21(10-14-24)8-7-20(26)25(21)16-15-23-11-1-2-12-23/h3-6H,1-2,7-17H2
InChIKeyUNYAGEUMXFHEDK-UHFFFAOYSA-N
MW359.49 g/mol
LogP2.88
Rot. Bonds5

About 8-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one

8-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97493820) has the molecular formula C21H30FN3O and a molecular weight of 359.49 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97493820
Molecular FormulaC21H30FN3O
Molecular Weight359.49 g/mol
Exact Mass359.24
IUPAC Name8-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(Cc3ccc(F)cc3)CC2)N1CCN1CCCC1
InChIInChI=1S/C21H30FN3O/c22-19-5-3-18(4-6-19)17-24-13-9-21(10-14-24)8-7-20(26)25(21)16-15-23-11-1-2-12-23/h3-6H,1-2,7-17H2
InChIKeyUNYAGEUMXFHEDK-UHFFFAOYSA-N
XLogP2.88
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97493820) is 8-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one is O=C1CCC2(CCN(Cc3ccc(F)cc3)CC2)N1CCN1CCCC1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is UNYAGEUMXFHEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O/c22-19-5-3-18(4-6-19)17-24-13-9-21(10-14-24)8-7-20(26)25(21)16-15-23-11-1-2-12-23/h3-6H,1-2,7-17H2.
What are the key properties of 8-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one?
8-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 359.49 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97493820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).