(4R,5S)-4-(2-fluorophenyl)-2-(2-hydroxyacetyl)-2,6-diazaspiro[4.5]decan-7-one

C16H19FN2O3 — CID 110129772

IUPAC(4R,5S)-4-(2-fluorophenyl)-2-(2-hydroxyacetyl)-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(C(=O)CO)C[C@H]2c2ccccc2F)N1
InChIInChI=1S/C16H19FN2O3/c17-13-5-2-1-4-11(13)12-8-19(15(22)9-20)10-16(12)7-3-6-14(21)18-16/h1-2,4-5,12,20H,3,6-10H2,(H,18,21)/t12-,16+/m0/s1
InChIKeyFYOOPOGUCDCFLY-BLLLJJGKSA-N
MW306.34 g/mol
LogP0.78
Rot. Bonds2

About (4R,5S)-4-(2-fluorophenyl)-2-(2-hydroxyacetyl)-2,6-diazaspiro[4.5]decan-7-one

(4R,5S)-4-(2-fluorophenyl)-2-(2-hydroxyacetyl)-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 110129772) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is (4R,5S)-4-(2-fluorophenyl)-2-(2-hydroxyacetyl)-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(4R,5S)-4-(2-fluorophenyl)-2-(2-hydroxyacetyl)-2,6-diazaspiro[4.5]decan-7-one
PubChem CID110129772
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name(4R,5S)-4-(2-fluorophenyl)-2-(2-hydroxyacetyl)-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(C(=O)CO)C[C@H]2c2ccccc2F)N1
InChIInChI=1S/C16H19FN2O3/c17-13-5-2-1-4-11(13)12-8-19(15(22)9-20)10-16(12)7-3-6-14(21)18-16/h1-2,4-5,12,20H,3,6-10H2,(H,18,21)/t12-,16+/m0/s1
InChIKeyFYOOPOGUCDCFLY-BLLLJJGKSA-N
XLogP0.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R,5S)-4-(2-fluorophenyl)-2-(2-hydroxyacetyl)-2,6-diazaspiro[4.5]decan-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-(2-fluorophenyl)-2-(2-hydroxyacetyl)-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of (4R,5S)-4-(2-fluorophenyl)-2-(2-hydroxyacetyl)-2,6-diazaspiro[4.5]decan-7-one (CID 110129772) is (4R,5S)-4-(2-fluorophenyl)-2-(2-hydroxyacetyl)-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for (4R,5S)-4-(2-fluorophenyl)-2-(2-hydroxyacetyl)-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for (4R,5S)-4-(2-fluorophenyl)-2-(2-hydroxyacetyl)-2,6-diazaspiro[4.5]decan-7-one is O=C1CCC[C@]2(CN(C(=O)CO)C[C@H]2c2ccccc2F)N1.
What is the InChIKey of (4R,5S)-4-(2-fluorophenyl)-2-(2-hydroxyacetyl)-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is FYOOPOGUCDCFLY-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H19FN2O3/c17-13-5-2-1-4-11(13)12-8-19(15(22)9-20)10-16(12)7-3-6-14(21)18-16/h1-2,4-5,12,20H,3,6-10H2,(H,18,21)/t12-,16+/m0/s1.
What are the key properties of (4R,5S)-4-(2-fluorophenyl)-2-(2-hydroxyacetyl)-2,6-diazaspiro[4.5]decan-7-one?
(4R,5S)-4-(2-fluorophenyl)-2-(2-hydroxyacetyl)-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 306.34 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-(2-fluorophenyl)-2-(2-hydroxyacetyl)-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 110129772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).