3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethyl]-1H-imidazol-2-one

C18H23N3O2 — CID 91840649

IUPAC3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCN1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C18H23N3O2/c22-16-13-14-3-1-2-4-15(14)18(16)5-8-20(9-6-18)11-12-21-10-7-19-17(21)23/h1-4,7,10,16,22H,5-6,8-9,11-13H2,(H,19,23)
InChIKeyQCRHMEOHHMZAGQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.13
Rot. Bonds3

About 3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethyl]-1H-imidazol-2-one

3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethyl]-1H-imidazol-2-one (PubChem CID 91840649) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethyl]-1H-imidazol-2-one
PubChem CID91840649
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCN1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C18H23N3O2/c22-16-13-14-3-1-2-4-15(14)18(16)5-8-20(9-6-18)11-12-21-10-7-19-17(21)23/h1-4,7,10,16,22H,5-6,8-9,11-13H2,(H,19,23)
InChIKeyQCRHMEOHHMZAGQ-UHFFFAOYSA-N
XLogP1.13
TPSA61.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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)ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethyl]-1H-imidazol-2-one (CID 91840649) is 3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethyl]-1H-imidazol-2-one is O=c1[nH]ccn1CCN1CCC2(CC1)c1ccccc1CC2O.
What is the InChIKey of 3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethyl]-1H-imidazol-2-one?
The InChIKey is QCRHMEOHHMZAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-16-13-14-3-1-2-4-15(14)18(16)5-8-20(9-6-18)11-12-21-10-7-19-17(21)23/h1-4,7,10,16,22H,5-6,8-9,11-13H2,(H,19,23).
What are the key properties of 3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethyl]-1H-imidazol-2-one?
3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethyl]-1H-imidazol-2-one has a molecular weight of 313.40 g/mol, XLogP of 1.13, 3 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)ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 91840649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).