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

C20H22FN3O — CID 118746872

IUPAC8-[(4-fluorophenyl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CC(c2ccncc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1
InChIInChI=1S/C20H22FN3O/c21-17-3-1-15(2-4-17)14-24-11-7-20(8-12-24)18(13-19(25)23-20)16-5-9-22-10-6-16/h1-6,9-10,18H,7-8,11-14H2,(H,23,25)
InChIKeyLNQZWAYDGQKROV-UHFFFAOYSA-N
MW339.41 g/mol
LogP2.86
Rot. Bonds3

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

8-[(4-fluorophenyl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118746872) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118746872
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name8-[(4-fluorophenyl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CC(c2ccncc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1
InChIInChI=1S/C20H22FN3O/c21-17-3-1-15(2-4-17)14-24-11-7-20(8-12-24)18(13-19(25)23-20)16-5-9-22-10-6-16/h1-6,9-10,18H,7-8,11-14H2,(H,23,25)
InChIKeyLNQZWAYDGQKROV-UHFFFAOYSA-N
XLogP2.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (CID 118746872) is 8-[(4-fluorophenyl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is O=C1CC(c2ccncc2)C2(CCN(Cc3ccc(F)cc3)CC2)N1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LNQZWAYDGQKROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-17-3-1-15(2-4-17)14-24-11-7-20(8-12-24)18(13-19(25)23-20)16-5-9-22-10-6-16/h1-6,9-10,18H,7-8,11-14H2,(H,23,25).
What are the key properties of 8-[(4-fluorophenyl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
8-[(4-fluorophenyl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 339.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118746872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).