8-[4-[(2-fluorophenyl)methoxy]benzoyl]-2,8-diazaspiro[4.5]decan-3-one

C22H23FN2O3 — CID 70778858

IUPAC8-[4-[(2-fluorophenyl)methoxy]benzoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3ccc(OCc4ccccc4F)cc3)CC2)CN1
InChIInChI=1S/C22H23FN2O3/c23-19-4-2-1-3-17(19)14-28-18-7-5-16(6-8-18)21(27)25-11-9-22(10-12-25)13-20(26)24-15-22/h1-8H,9-15H2,(H,24,26)
InChIKeyDIRYBPBTOTURNR-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.15
Rot. Bonds4

About 8-[4-[(2-fluorophenyl)methoxy]benzoyl]-2,8-diazaspiro[4.5]decan-3-one

8-[4-[(2-fluorophenyl)methoxy]benzoyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70778858) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 8-[4-[(2-fluorophenyl)methoxy]benzoyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[4-[(2-fluorophenyl)methoxy]benzoyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70778858
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name8-[4-[(2-fluorophenyl)methoxy]benzoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3ccc(OCc4ccccc4F)cc3)CC2)CN1
InChIInChI=1S/C22H23FN2O3/c23-19-4-2-1-3-17(19)14-28-18-7-5-16(6-8-18)21(27)25-11-9-22(10-12-25)13-20(26)24-15-22/h1-8H,9-15H2,(H,24,26)
InChIKeyDIRYBPBTOTURNR-UHFFFAOYSA-N
XLogP3.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone
CID 72851095
8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 81499414
8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50969847
8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50951911
2,7-diazaspiro[3.5]nonan-7-yl-(4-phenylmethoxyphenyl)methanone;2,2,2-trifluoroacetic acid
CID 172894977
8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 119063300
8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103755680
[(3aR,7aR)-7a-(hydroxymethyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone
CID 137344750
2-[(2R)-1-[4-[(2-fluorophenyl)methoxy]benzoyl]piperidin-2-yl]acetic acid
CID 125176472
8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 114344968
8-(1-benzoyl-3-methylpiperidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 139005270
2-[2-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]sulfanylpropanoic acid
CID 119185511

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(2-fluorophenyl)methoxy]benzoyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[4-[(2-fluorophenyl)methoxy]benzoyl]-2,8-diazaspiro[4.5]decan-3-one (CID 70778858) is 8-[4-[(2-fluorophenyl)methoxy]benzoyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[4-[(2-fluorophenyl)methoxy]benzoyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[4-[(2-fluorophenyl)methoxy]benzoyl]-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(C(=O)c3ccc(OCc4ccccc4F)cc3)CC2)CN1.
What is the InChIKey of 8-[4-[(2-fluorophenyl)methoxy]benzoyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is DIRYBPBTOTURNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c23-19-4-2-1-3-17(19)14-28-18-7-5-16(6-8-18)21(27)25-11-9-22(10-12-25)13-20(26)24-15-22/h1-8H,9-15H2,(H,24,26).
What are the key properties of 8-[4-[(2-fluorophenyl)methoxy]benzoyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[4-[(2-fluorophenyl)methoxy]benzoyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 382.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(2-fluorophenyl)methoxy]benzoyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70778858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).