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

C19H24N2O2 — CID 131652638

IUPAC7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccc(N2CC3(CCN(C(=O)CC4CC4)C3)CC2=O)cc1
InChIInChI=1S/C19H24N2O2/c1-14-2-6-16(7-3-14)21-13-19(11-18(21)23)8-9-20(12-19)17(22)10-15-4-5-15/h2-3,6-7,15H,4-5,8-13H2,1H3
InChIKeyYKGQBYFCTSAOFN-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.75
Rot. Bonds3

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

7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131652638) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131652638
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccc(N2CC3(CCN(C(=O)CC4CC4)C3)CC2=O)cc1
InChIInChI=1S/C19H24N2O2/c1-14-2-6-16(7-3-14)21-13-19(11-18(21)23)8-9-20(12-19)17(22)10-15-4-5-15/h2-3,6-7,15H,4-5,8-13H2,1H3
InChIKeyYKGQBYFCTSAOFN-UHFFFAOYSA-N
XLogP2.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 134073060
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
2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131691070
2-(4-fluorophenyl)-7-[2-(1-hydroxycyclobutyl)acetyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131691131
(5S)-2-(4-methylphenyl)-7-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97398955
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
6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one
CID 144760105
2-(3-methylphenyl)-7-(2-phenoxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131662035
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[2-(dimethylamino)acetyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131661647
3-oxo-2-phenyl-N-propan-2-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118741086

Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one (CID 131652638) is 7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one is Cc1ccc(N2CC3(CCN(C(=O)CC4CC4)C3)CC2=O)cc1.
What is the InChIKey of 7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is YKGQBYFCTSAOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-2-6-16(7-3-14)21-13-19(11-18(21)23)8-9-20(12-19)17(22)10-15-4-5-15/h2-3,6-7,15H,4-5,8-13H2,1H3.
What are the key properties of 7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one?
7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 312.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131652638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).