3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C18H21N3O4 — CID 5151985

IUPAC3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)N1CCCCC1
InChIInChI=1S/C18H21N3O4/c22-15(20-9-4-1-5-10-20)12-21-16(23)18(19-17(21)24)8-11-25-14-7-3-2-6-13(14)18/h2-3,6-7H,1,4-5,8-12H2,(H,19,24)
InChIKeyFKJLVEFNRXYQFX-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.23
Rot. Bonds2

About 3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 5151985) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID5151985
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)N1CCCCC1
InChIInChI=1S/C18H21N3O4/c22-15(20-9-4-1-5-10-20)12-21-16(23)18(19-17(21)24)8-11-25-14-7-3-2-6-13(14)18/h2-3,6-7H,1,4-5,8-12H2,(H,19,24)
InChIKeyFKJLVEFNRXYQFX-UHFFFAOYSA-N
XLogP1.23
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.23
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 3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 5151985) is 3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is O=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)N1CCCCC1.
What is the InChIKey of 3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is FKJLVEFNRXYQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-15(20-9-4-1-5-10-20)12-21-16(23)18(19-17(21)24)8-11-25-14-7-3-2-6-13(14)18/h2-3,6-7H,1,4-5,8-12H2,(H,19,24).
What are the key properties of 3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 343.38 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 5151985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).