(5S,8R,10R)-7-benzyl-10-(4-chlorophenyl)-8-hydroxy-7-azaspiro[4.5]decane-4,6-dione

C22H22ClNO3 — CID 132572928

IUPAC(5S,8R,10R)-7-benzyl-10-(4-chlorophenyl)-8-hydroxy-7-azaspiro[4.5]decane-4,6-dione
SMILESO=C1CCC[C@@]12C(=O)N(Cc1ccccc1)[C@H](O)C[C@@H]2c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClNO3/c23-17-10-8-16(9-11-17)18-13-20(26)24(14-15-5-2-1-3-6-15)21(27)22(18)12-4-7-19(22)25/h1-3,5-6,8-11,18,20,26H,4,7,12-14H2/t18-,20-,22+/m1/s1
InChIKeyBXCXMHOEBIPYFS-UZKOGDIHSA-N
MW383.88 g/mol
LogP3.91
Rot. Bonds3

About (5S,8R,10R)-7-benzyl-10-(4-chlorophenyl)-8-hydroxy-7-azaspiro[4.5]decane-4,6-dione

(5S,8R,10R)-7-benzyl-10-(4-chlorophenyl)-8-hydroxy-7-azaspiro[4.5]decane-4,6-dione (PubChem CID 132572928) has the molecular formula C22H22ClNO3 and a molecular weight of 383.88 g/mol. Its IUPAC name is (5S,8R,10R)-7-benzyl-10-(4-chlorophenyl)-8-hydroxy-7-azaspiro[4.5]decane-4,6-dione.

Molecular Properties

Compound Name(5S,8R,10R)-7-benzyl-10-(4-chlorophenyl)-8-hydroxy-7-azaspiro[4.5]decane-4,6-dione
PubChem CID132572928
Molecular FormulaC22H22ClNO3
Molecular Weight383.88 g/mol
Exact Mass383.13
IUPAC Name(5S,8R,10R)-7-benzyl-10-(4-chlorophenyl)-8-hydroxy-7-azaspiro[4.5]decane-4,6-dione
SMILESO=C1CCC[C@@]12C(=O)N(Cc1ccccc1)[C@H](O)C[C@@H]2c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClNO3/c23-17-10-8-16(9-11-17)18-13-20(26)24(14-15-5-2-1-3-6-15)21(27)22(18)12-4-7-19(22)25/h1-3,5-6,8-11,18,20,26H,4,7,12-14H2/t18-,20-,22+/m1/s1
InChIKeyBXCXMHOEBIPYFS-UZKOGDIHSA-N
XLogP3.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,8R,10R)-7-benzyl-10-(4-chlorophenyl)-8-hydroxy-7-azaspiro[4.5]decane-4,6-dione?
The IUPAC name of (5S,8R,10R)-7-benzyl-10-(4-chlorophenyl)-8-hydroxy-7-azaspiro[4.5]decane-4,6-dione (CID 132572928) is (5S,8R,10R)-7-benzyl-10-(4-chlorophenyl)-8-hydroxy-7-azaspiro[4.5]decane-4,6-dione.
What is the SMILES notation for (5S,8R,10R)-7-benzyl-10-(4-chlorophenyl)-8-hydroxy-7-azaspiro[4.5]decane-4,6-dione?
The canonical SMILES for (5S,8R,10R)-7-benzyl-10-(4-chlorophenyl)-8-hydroxy-7-azaspiro[4.5]decane-4,6-dione is O=C1CCC[C@@]12C(=O)N(Cc1ccccc1)[C@H](O)C[C@@H]2c1ccc(Cl)cc1.
What is the InChIKey of (5S,8R,10R)-7-benzyl-10-(4-chlorophenyl)-8-hydroxy-7-azaspiro[4.5]decane-4,6-dione?
The InChIKey is BXCXMHOEBIPYFS-UZKOGDIHSA-N. The full InChI is InChI=1S/C22H22ClNO3/c23-17-10-8-16(9-11-17)18-13-20(26)24(14-15-5-2-1-3-6-15)21(27)22(18)12-4-7-19(22)25/h1-3,5-6,8-11,18,20,26H,4,7,12-14H2/t18-,20-,22+/m1/s1.
What are the key properties of (5S,8R,10R)-7-benzyl-10-(4-chlorophenyl)-8-hydroxy-7-azaspiro[4.5]decane-4,6-dione?
(5S,8R,10R)-7-benzyl-10-(4-chlorophenyl)-8-hydroxy-7-azaspiro[4.5]decane-4,6-dione has a molecular weight of 383.88 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R,10R)-7-benzyl-10-(4-chlorophenyl)-8-hydroxy-7-azaspiro[4.5]decane-4,6-dione is sourced from PubChem (CID 132572928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).