7-fluoro-3'-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C25H27F2N3O3 — CID 10204539

IUPAC7-fluoro-3'-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCOc3cc(F)ccc32)C(=O)N1CCCN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H27F2N3O3/c26-19-4-2-17(3-5-19)18-8-13-29(14-9-18)11-1-12-30-23(31)25(28-24(30)32)10-15-33-22-16-20(27)6-7-21(22)25/h2-7,16,18H,1,8-15H2,(H,28,32)
InChIKeyWAHVJBSXXXVBCF-UHFFFAOYSA-N
MW455.51 g/mol
LogP3.76
Rot. Bonds5

About 7-fluoro-3'-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

7-fluoro-3'-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 10204539) has the molecular formula C25H27F2N3O3 and a molecular weight of 455.51 g/mol. Its IUPAC name is 7-fluoro-3'-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name7-fluoro-3'-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID10204539
Molecular FormulaC25H27F2N3O3
Molecular Weight455.51 g/mol
Exact Mass455.20
IUPAC Name7-fluoro-3'-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCOc3cc(F)ccc32)C(=O)N1CCCN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H27F2N3O3/c26-19-4-2-17(3-5-19)18-8-13-29(14-9-18)11-1-12-30-23(31)25(28-24(30)32)10-15-33-22-16-20(27)6-7-21(22)25/h2-7,16,18H,1,8-15H2,(H,28,32)
InChIKeyWAHVJBSXXXVBCF-UHFFFAOYSA-N
XLogP3.76
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3'-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 7-fluoro-3'-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 10204539) is 7-fluoro-3'-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 7-fluoro-3'-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 7-fluoro-3'-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCOc3cc(F)ccc32)C(=O)N1CCCN1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 7-fluoro-3'-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is WAHVJBSXXXVBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N3O3/c26-19-4-2-17(3-5-19)18-8-13-29(14-9-18)11-1-12-30-23(31)25(28-24(30)32)10-15-33-22-16-20(27)6-7-21(22)25/h2-7,16,18H,1,8-15H2,(H,28,32).
What are the key properties of 7-fluoro-3'-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
7-fluoro-3'-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 455.51 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3'-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 10204539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).