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

C19H21FN2O4 — CID 70720366

IUPAC7-[4-(4-fluorophenyl)oxane-4-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCN(C(=O)C3(c4ccc(F)cc4)CCOCC3)C2)C(=O)N1
InChIInChI=1S/C19H21FN2O4/c20-14-3-1-13(2-4-14)19(6-9-26-10-7-19)17(25)22-8-5-18(12-22)11-15(23)21-16(18)24/h1-4H,5-12H2,(H,21,23,24)
InChIKeySRQRBNDKZABACU-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.14
Rot. Bonds2

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

7-[4-(4-fluorophenyl)oxane-4-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (PubChem CID 70720366) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 7-[4-(4-fluorophenyl)oxane-4-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name7-[4-(4-fluorophenyl)oxane-4-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
PubChem CID70720366
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name7-[4-(4-fluorophenyl)oxane-4-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCN(C(=O)C3(c4ccc(F)cc4)CCOCC3)C2)C(=O)N1
InChIInChI=1S/C19H21FN2O4/c20-14-3-1-13(2-4-14)19(6-9-26-10-7-19)17(25)22-8-5-18(12-22)11-15(23)21-16(18)24/h1-4H,5-12H2,(H,21,23,24)
InChIKeySRQRBNDKZABACU-UHFFFAOYSA-N
XLogP1.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-fluorophenyl)oxane-4-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 7-[4-(4-fluorophenyl)oxane-4-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (CID 70720366) is 7-[4-(4-fluorophenyl)oxane-4-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 7-[4-(4-fluorophenyl)oxane-4-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 7-[4-(4-fluorophenyl)oxane-4-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCN(C(=O)C3(c4ccc(F)cc4)CCOCC3)C2)C(=O)N1.
What is the InChIKey of 7-[4-(4-fluorophenyl)oxane-4-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The InChIKey is SRQRBNDKZABACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c20-14-3-1-13(2-4-14)19(6-9-26-10-7-19)17(25)22-8-5-18(12-22)11-15(23)21-16(18)24/h1-4H,5-12H2,(H,21,23,24).
What are the key properties of 7-[4-(4-fluorophenyl)oxane-4-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
7-[4-(4-fluorophenyl)oxane-4-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione has a molecular weight of 360.39 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-fluorophenyl)oxane-4-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 70720366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).