1-[7-[(4-fluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione

C23H23FN2O3 — CID 45251564

IUPAC1-[7-[(4-fluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione
SMILESO=C(C(=O)N1CCC2(CCCN(Cc3ccc(F)cc3)C2=O)C1)c1ccccc1
InChIInChI=1S/C23H23FN2O3/c24-19-9-7-17(8-10-19)15-25-13-4-11-23(22(25)29)12-14-26(16-23)21(28)20(27)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2
InChIKeyVMEGUHIZJGFRLS-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.05
Rot. Bonds4

About 1-[7-[(4-fluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione

1-[7-[(4-fluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione (PubChem CID 45251564) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-[7-[(4-fluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione.

Molecular Properties

Compound Name1-[7-[(4-fluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione
PubChem CID45251564
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name1-[7-[(4-fluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione
SMILESO=C(C(=O)N1CCC2(CCCN(Cc3ccc(F)cc3)C2=O)C1)c1ccccc1
InChIInChI=1S/C23H23FN2O3/c24-19-9-7-17(8-10-19)15-25-13-4-11-23(22(25)29)12-14-26(16-23)21(28)20(27)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2
InChIKeyVMEGUHIZJGFRLS-UHFFFAOYSA-N
XLogP3.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45243127
(5S)-7-[(4-fluorophenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95721661
2-[2-(diethylamino)acetyl]-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56905387
7-[(4-fluorophenyl)methyl]-2-[1-(methoxymethyl)cyclopropanecarbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 119061583
(5S)-7-[(4-fluorophenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42529834
(5S)-2-(2-methylpropanoyl)-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26412240
7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56900937
(5S)-7-[(2-fluorophenyl)methyl]-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25370197
(5R)-9-acetyl-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 97490448
(5R)-7-[(4-fluorophenyl)methyl]-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 95861653
(5R)-2-(cyclobutanecarbonyl)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25283016
(5R)-2-(3-methylbutanoyl)-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42392580

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(4-fluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione?
The IUPAC name of 1-[7-[(4-fluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione (CID 45251564) is 1-[7-[(4-fluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione.
What is the SMILES notation for 1-[7-[(4-fluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione?
The canonical SMILES for 1-[7-[(4-fluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione is O=C(C(=O)N1CCC2(CCCN(Cc3ccc(F)cc3)C2=O)C1)c1ccccc1.
What is the InChIKey of 1-[7-[(4-fluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione?
The InChIKey is VMEGUHIZJGFRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c24-19-9-7-17(8-10-19)15-25-13-4-11-23(22(25)29)12-14-26(16-23)21(28)20(27)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2.
What are the key properties of 1-[7-[(4-fluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione?
1-[7-[(4-fluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione has a molecular weight of 394.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(4-fluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione is sourced from PubChem (CID 45251564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).