8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one

C19H25FN2O2 — CID 146416563

IUPAC8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCC(c3cccc(F)c3)CC2)N1CC1(O)CCC1
InChIInChI=1S/C19H25FN2O2/c20-16-4-1-3-15(11-16)14-5-9-18(10-6-14)12-21-17(23)22(18)13-19(24)7-2-8-19/h1,3-4,11,14,24H,2,5-10,12-13H2,(H,21,23)
InChIKeyIUHZIHIATVVHDG-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.16
Rot. Bonds3

About 8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one

8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 146416563) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID146416563
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCC(c3cccc(F)c3)CC2)N1CC1(O)CCC1
InChIInChI=1S/C19H25FN2O2/c20-16-4-1-3-15(11-16)14-5-9-18(10-6-14)12-21-17(23)22(18)13-19(24)7-2-8-19/h1,3-4,11,14,24H,2,5-10,12-13H2,(H,21,23)
InChIKeyIUHZIHIATVVHDG-UHFFFAOYSA-N
XLogP3.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one (CID 146416563) is 8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCC(c3cccc(F)c3)CC2)N1CC1(O)CCC1.
What is the InChIKey of 8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is IUHZIHIATVVHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c20-16-4-1-3-15(11-16)14-5-9-18(10-6-14)12-21-17(23)22(18)13-19(24)7-2-8-19/h1,3-4,11,14,24H,2,5-10,12-13H2,(H,21,23).
What are the key properties of 8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one?
8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 332.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 146416563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).