7-[4-(4-fluorophenyl)-4-oxobutanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

C17H17FN2O4 — CID 70738862

IUPAC7-[4-(4-fluorophenyl)-4-oxobutanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCN(C(=O)CCC(=O)c3ccc(F)cc3)C2)C(=O)N1
InChIInChI=1S/C17H17FN2O4/c18-12-3-1-11(2-4-12)13(21)5-6-15(23)20-8-7-17(10-20)9-14(22)19-16(17)24/h1-4H,5-10H2,(H,19,22,24)
InChIKeyDWDNCSVGJADWFN-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.05
Rot. Bonds4

About 7-[4-(4-fluorophenyl)-4-oxobutanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

7-[4-(4-fluorophenyl)-4-oxobutanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (PubChem CID 70738862) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is 7-[4-(4-fluorophenyl)-4-oxobutanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name7-[4-(4-fluorophenyl)-4-oxobutanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
PubChem CID70738862
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name7-[4-(4-fluorophenyl)-4-oxobutanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCN(C(=O)CCC(=O)c3ccc(F)cc3)C2)C(=O)N1
InChIInChI=1S/C17H17FN2O4/c18-12-3-1-11(2-4-12)13(21)5-6-15(23)20-8-7-17(10-20)9-14(22)19-16(17)24/h1-4H,5-10H2,(H,19,22,24)
InChIKeyDWDNCSVGJADWFN-UHFFFAOYSA-N
XLogP1.05
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-4-(4-fluorophenyl)butane-1,4-dione
CID 70717810
1-(4-fluorophenyl)-4-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butane-1,4-dione
CID 70718148
(5S)-7-[3-[5-(4-methylphenyl)furan-2-yl]propanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 96578508
7-[3-(4-chloropyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70770814
1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione
CID 97151104
(5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97156965
7-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70775890
1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidine-4-carbonitrile
CID 49064717
(5S)-7-[2-(1-methylindol-3-yl)sulfanylacetyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 96574272
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-4-(4-fluorophenyl)butane-1,4-dione;hydrochloride
CID 120655919
1-(6-chloro-5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-fluorophenyl)butane-1,4-dione
CID 108735417
1-(4-ethoxy-3-methylphenyl)-4-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]butane-1,4-dione
CID 97122224

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-fluorophenyl)-4-oxobutanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 7-[4-(4-fluorophenyl)-4-oxobutanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (CID 70738862) is 7-[4-(4-fluorophenyl)-4-oxobutanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 7-[4-(4-fluorophenyl)-4-oxobutanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 7-[4-(4-fluorophenyl)-4-oxobutanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCN(C(=O)CCC(=O)c3ccc(F)cc3)C2)C(=O)N1.
What is the InChIKey of 7-[4-(4-fluorophenyl)-4-oxobutanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The InChIKey is DWDNCSVGJADWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c18-12-3-1-11(2-4-12)13(21)5-6-15(23)20-8-7-17(10-20)9-14(22)19-16(17)24/h1-4H,5-10H2,(H,19,22,24).
What are the key properties of 7-[4-(4-fluorophenyl)-4-oxobutanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
7-[4-(4-fluorophenyl)-4-oxobutanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione has a molecular weight of 332.33 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-fluorophenyl)-4-oxobutanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 70738862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).