3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C17H21FN2O3 — CID 94385395

IUPAC3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(C[C@H](O)c2cccc(F)c2)C(=O)C12CCCCC2
InChIInChI=1S/C17H21FN2O3/c1-19-16(23)20(15(22)17(19)8-3-2-4-9-17)11-14(21)12-6-5-7-13(18)10-12/h5-7,10,14,21H,2-4,8-9,11H2,1H3/t14-/m0/s1
InChIKeyIUGBBVKRRKPREC-AWEZNQCLSA-N
MW320.36 g/mol
LogP2.46
Rot. Bonds3

About 3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 94385395) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID94385395
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(C[C@H](O)c2cccc(F)c2)C(=O)C12CCCCC2
InChIInChI=1S/C17H21FN2O3/c1-19-16(23)20(15(22)17(19)8-3-2-4-9-17)11-14(21)12-6-5-7-13(18)10-12/h5-7,10,14,21H,2-4,8-9,11H2,1H3/t14-/m0/s1
InChIKeyIUGBBVKRRKPREC-AWEZNQCLSA-N
XLogP2.46
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 94385395) is 3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CN1C(=O)N(C[C@H](O)c2cccc(F)c2)C(=O)C12CCCCC2.
What is the InChIKey of 3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is IUGBBVKRRKPREC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-19-16(23)20(15(22)17(19)8-3-2-4-9-17)11-14(21)12-6-5-7-13(18)10-12/h5-7,10,14,21H,2-4,8-9,11H2,1H3/t14-/m0/s1.
What are the key properties of 3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 320.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 94385395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).