7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one

C17H22N2O3 — CID 134073060

IUPAC7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCOCC(=O)N1CCC2(CC(=O)N(c3ccc(C)cc3)C2)C1
InChIInChI=1S/C17H22N2O3/c1-13-3-5-14(6-4-13)19-12-17(9-15(19)20)7-8-18(11-17)16(21)10-22-2/h3-6H,7-12H2,1-2H3
InChIKeyACJQUSVRBISVMQ-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.60
Rot. Bonds3

About 7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one

7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 134073060) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID134073060
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCOCC(=O)N1CCC2(CC(=O)N(c3ccc(C)cc3)C2)C1
InChIInChI=1S/C17H22N2O3/c1-13-3-5-14(6-4-13)19-12-17(9-15(19)20)7-8-18(11-17)16(21)10-22-2/h3-6H,7-12H2,1-2H3
InChIKeyACJQUSVRBISVMQ-UHFFFAOYSA-N
XLogP1.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131652638
2-(4-methylphenyl)-7-(2-phenylacetyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 134070621
7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131682245
(5S)-2-(4-methylphenyl)-7-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97398955
2-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 97449602
2-(3-methylphenyl)-7-(2-phenoxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131662035
6-(2-methoxyacetyl)-6-azaspiro[3.4]octan-2-one
CID 139295195
2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131691070
7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131649039
4-[7-[2-(dimethylamino)acetyl]-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile
CID 134073075
2-(4-fluorophenyl)-7-[2-(1-hydroxycyclobutyl)acetyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131691131
6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one
CID 144760105

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one (CID 134073060) is 7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one is COCC(=O)N1CCC2(CC(=O)N(c3ccc(C)cc3)C2)C1.
What is the InChIKey of 7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is ACJQUSVRBISVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-13-3-5-14(6-4-13)19-12-17(9-15(19)20)7-8-18(11-17)16(21)10-22-2/h3-6H,7-12H2,1-2H3.
What are the key properties of 7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one?
7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 302.37 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 134073060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).