6-cyclobutyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

C17H22N2O2 — CID 83250316

IUPAC6-cyclobutyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCOc1ccc(C2NC3(CC3)C(=O)N2C2CCC2)cc1C
InChIInChI=1S/C17H22N2O2/c1-11-10-12(6-7-14(11)21-2)15-18-17(8-9-17)16(20)19(15)13-4-3-5-13/h6-7,10,13,15,18H,3-5,8-9H2,1-2H3
InChIKeyZQXYZJDOZFKSNK-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.52
Rot. Bonds3

About 6-cyclobutyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

6-cyclobutyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83250316) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-cyclobutyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-cyclobutyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83250316
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name6-cyclobutyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCOc1ccc(C2NC3(CC3)C(=O)N2C2CCC2)cc1C
InChIInChI=1S/C17H22N2O2/c1-11-10-12(6-7-14(11)21-2)15-18-17(8-9-17)16(20)19(15)13-4-3-5-13/h6-7,10,13,15,18H,3-5,8-9H2,1-2H3
InChIKeyZQXYZJDOZFKSNK-UHFFFAOYSA-N
XLogP2.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopropyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245154
3-cyclobutyl-2-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83249263
6-cyclobutyl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83250307
2-(4-methoxy-3-methylphenyl)-3-(oxolan-3-yl)imidazolidin-4-one
CID 83270371
5-(4-methoxyphenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83267252
3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83244642
3-cyclopropyl-2-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83244929
2-(4-methoxy-3-methylphenyl)-5-methyl-3-(2-methylcyclopropyl)imidazolidin-4-one
CID 83254500
(2R)-2-(4-methoxy-3-methylphenyl)azetidine
CID 130665442
5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83243214
3-cyclopropyl-2-(5-methylthiophen-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83243162
6-cyclopropyl-5-(4-prop-2-enoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83244933

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-cyclobutyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83250316) is 6-cyclobutyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-cyclobutyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-cyclobutyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is COc1ccc(C2NC3(CC3)C(=O)N2C2CCC2)cc1C.
What is the InChIKey of 6-cyclobutyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is ZQXYZJDOZFKSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-10-12(6-7-14(11)21-2)15-18-17(8-9-17)16(20)19(15)13-4-3-5-13/h6-7,10,13,15,18H,3-5,8-9H2,1-2H3.
What are the key properties of 6-cyclobutyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-cyclobutyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 286.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83250316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).