3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione

C18H21N3O4 — CID 72894256

IUPAC3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CNC1=O)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C18H21N3O4/c22-14-9-12-3-1-2-4-13(12)18(14)5-7-20(8-6-18)16(24)11-21-15(23)10-19-17(21)25/h1-4,14,22H,5-11H2,(H,19,25)
InChIKeyYIMGYBDQANDTPE-UHFFFAOYSA-N
MW343.38 g/mol
LogP0.02
Rot. Bonds2

About 3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione

3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 72894256) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID72894256
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CNC1=O)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C18H21N3O4/c22-14-9-12-3-1-2-4-13(12)18(14)5-7-20(8-6-18)16(24)11-21-15(23)10-19-17(21)25/h1-4,14,22H,5-11H2,(H,19,25)
InChIKeyYIMGYBDQANDTPE-UHFFFAOYSA-N
XLogP0.02
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 50.02
H-Bond Donors ≤ 52
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-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 72894256) is 3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione is O=C(CN1C(=O)CNC1=O)N1CCC2(CC1)c1ccccc1CC2O.
What is the InChIKey of 3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is YIMGYBDQANDTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-14-9-12-3-1-2-4-13(12)18(14)5-7-20(8-6-18)16(24)11-21-15(23)10-19-17(21)25/h1-4,14,22H,5-11H2,(H,19,25).
What are the key properties of 3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione?
3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 343.38 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 72894256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).