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

C17H20F2N2O3 — CID 94385224

IUPAC(5R,6R)-3-[(2R)-2-(2,5-difluorophenyl)-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)c1cc(F)ccc1F)C2=O
InChIInChI=1S/C17H20F2N2O3/c1-10-4-2-3-7-17(10)15(23)21(16(24)20-17)9-14(22)12-8-11(18)5-6-13(12)19/h5-6,8,10,14,22H,2-4,7,9H2,1H3,(H,20,24)/t10-,14+,17-/m1/s1
InChIKeyCPFNVCNDRFTJQM-OVWKYPIYSA-N
MW338.35 g/mol
LogP2.50
Rot. Bonds3

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

(5R,6R)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 94385224) has the molecular formula C17H20F2N2O3 and a molecular weight of 338.35 g/mol. Its IUPAC name is (5R,6R)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5R,6R)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID94385224
Molecular FormulaC17H20F2N2O3
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name(5R,6R)-3-[(2R)-2-(2,5-difluorophenyl)-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)c1cc(F)ccc1F)C2=O
InChIInChI=1S/C17H20F2N2O3/c1-10-4-2-3-7-17(10)15(23)21(16(24)20-17)9-14(22)12-8-11(18)5-6-13(12)19/h5-6,8,10,14,22H,2-4,7,9H2,1H3,(H,20,24)/t10-,14+,17-/m1/s1
InChIKeyCPFNVCNDRFTJQM-OVWKYPIYSA-N
XLogP2.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.50
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-(3-fluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94385228
(5S,6R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680984
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47556184
(5S,6S)-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7181524
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7469479
N-[2-(4-fluorophenyl)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2081664
N-(2-chloro-4-fluorophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703501
N-(2-chloro-4-fluorophenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703504
(5R,6S)-3-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51924278
N-ethyl-N-(4-fluorophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7875413
N-ethyl-N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51196058

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5R,6R)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 94385224) is (5R,6R)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5R,6R)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5R,6R)-3-[(2R)-2-(2,5-difluorophenyl)-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)c1cc(F)ccc1F)C2=O.
What is the InChIKey of (5R,6R)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is CPFNVCNDRFTJQM-OVWKYPIYSA-N. The full InChI is InChI=1S/C17H20F2N2O3/c1-10-4-2-3-7-17(10)15(23)21(16(24)20-17)9-14(22)12-8-11(18)5-6-13(12)19/h5-6,8,10,14,22H,2-4,7,9H2,1H3,(H,20,24)/t10-,14+,17-/m1/s1.
What are the key properties of (5R,6R)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(5R,6R)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 338.35 g/mol, XLogP of 2.50, 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-(2,5-difluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 94385224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).