(5R,6R)-3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C17H21FN2O3 — CID 94385228

IUPAC(5R,6R)-3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(C[C@H](O)c1cccc(F)c1)C2=O
InChIInChI=1S/C17H21FN2O3/c1-11-5-2-3-8-17(11)15(22)20(16(23)19-17)10-14(21)12-6-4-7-13(18)9-12/h4,6-7,9,11,14,21H,2-3,5,8,10H2,1H3,(H,19,23)/t11-,14+,17-/m1/s1
InChIKeyXTBFFDKQFKYEHR-HYSWKAIVSA-N
MW320.36 g/mol
LogP2.36
Rot. Bonds3

About (5R,6R)-3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

(5R,6R)-3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 94385228) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is (5R,6R)-3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5R,6R)-3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID94385228
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name(5R,6R)-3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(C[C@H](O)c1cccc(F)c1)C2=O
InChIInChI=1S/C17H21FN2O3/c1-11-5-2-3-8-17(11)15(22)20(16(23)19-17)10-14(21)12-6-4-7-13(18)9-12/h4,6-7,9,11,14,21H,2-3,5,8,10H2,1H3,(H,19,23)/t11-,14+,17-/m1/s1
InChIKeyXTBFFDKQFKYEHR-HYSWKAIVSA-N
XLogP2.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S,6R)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94385222
(5R,6R)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94385224
(5R,6S)-3-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31281288
N-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 51592951
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51189981
(5S,6R)-3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 124838172
(5S,6R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680984
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 7265457
3-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46511012
3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94385395
3'-[2-(3-fluorophenyl)-2-hydroxyethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 47053135
3-[[benzhydryl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18149953

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5R,6R)-3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 94385228) is (5R,6R)-3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5R,6R)-3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5R,6R)-3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@@H]1CCCC[C@@]12NC(=O)N(C[C@H](O)c1cccc(F)c1)C2=O.
What is the InChIKey of (5R,6R)-3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is XTBFFDKQFKYEHR-HYSWKAIVSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-11-5-2-3-8-17(11)15(22)20(16(23)19-17)10-14(21)12-6-4-7-13(18)9-12/h4,6-7,9,11,14,21H,2-3,5,8,10H2,1H3,(H,19,23)/t11-,14+,17-/m1/s1.
What are the key properties of (5R,6R)-3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(5R,6R)-3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 320.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 94385228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).