4-benzoyl-2-(4-methoxyphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one

C22H22N2O3 — CID 22424943

IUPAC4-benzoyl-2-(4-methoxyphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one
SMILESCOc1ccc(C2=NC3(CCCCC3)N(C(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C22H22N2O3/c1-27-18-12-10-16(11-13-18)19-21(26)24(20(25)17-8-4-2-5-9-17)22(23-19)14-6-3-7-15-22/h2,4-5,8-13H,3,6-7,14-15H2,1H3
InChIKeyLAHJPTBPVGWNIV-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.83
Rot. Bonds3

About 4-benzoyl-2-(4-methoxyphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one

4-benzoyl-2-(4-methoxyphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one (PubChem CID 22424943) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-benzoyl-2-(4-methoxyphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one.

Molecular Properties

Compound Name4-benzoyl-2-(4-methoxyphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one
PubChem CID22424943
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name4-benzoyl-2-(4-methoxyphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one
SMILESCOc1ccc(C2=NC3(CCCCC3)N(C(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C22H22N2O3/c1-27-18-12-10-16(11-13-18)19-21(26)24(20(25)17-8-4-2-5-9-17)22(23-19)14-6-3-7-15-22/h2,4-5,8-13H,3,6-7,14-15H2,1H3
InChIKeyLAHJPTBPVGWNIV-UHFFFAOYSA-N
XLogP3.83
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-2-(4-methoxyphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one?
The IUPAC name of 4-benzoyl-2-(4-methoxyphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one (CID 22424943) is 4-benzoyl-2-(4-methoxyphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one.
What is the SMILES notation for 4-benzoyl-2-(4-methoxyphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one?
The canonical SMILES for 4-benzoyl-2-(4-methoxyphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one is COc1ccc(C2=NC3(CCCCC3)N(C(=O)c3ccccc3)C2=O)cc1.
What is the InChIKey of 4-benzoyl-2-(4-methoxyphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one?
The InChIKey is LAHJPTBPVGWNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-27-18-12-10-16(11-13-18)19-21(26)24(20(25)17-8-4-2-5-9-17)22(23-19)14-6-3-7-15-22/h2,4-5,8-13H,3,6-7,14-15H2,1H3.
What are the key properties of 4-benzoyl-2-(4-methoxyphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one?
4-benzoyl-2-(4-methoxyphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one has a molecular weight of 362.43 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-2-(4-methoxyphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one is sourced from PubChem (CID 22424943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).