5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one

C15H20N2O2 — CID 83241897

IUPAC5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCN1C(=O)C2(CC2)NC1c1cccc(OC)c1
InChIInChI=1S/C15H20N2O2/c1-3-9-17-13(16-15(7-8-15)14(17)18)11-5-4-6-12(10-11)19-2/h4-6,10,13,16H,3,7-9H2,1-2H3
InChIKeyLEGCQHVLNFVELO-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.07
Rot. Bonds4

About 5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one

5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83241897) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83241897
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCN1C(=O)C2(CC2)NC1c1cccc(OC)c1
InChIInChI=1S/C15H20N2O2/c1-3-9-17-13(16-15(7-8-15)14(17)18)11-5-4-6-12(10-11)19-2/h4-6,10,13,16H,3,7-9H2,1-2H3
InChIKeyLEGCQHVLNFVELO-UHFFFAOYSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248015
5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242074
5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83243214
5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242438
5-(3-chlorophenyl)-6-pentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83251394
5-(3-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83250897
6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237493
5-ethyl-2-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83263533
5-(3-chlorophenyl)-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237717
5-(4-tert-butylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83246689
2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 51172490
6-butyl-5-(3-fluoro-4-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237728

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83241897) is 5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one is CCCN1C(=O)C2(CC2)NC1c1cccc(OC)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is LEGCQHVLNFVELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-9-17-13(16-15(7-8-15)14(17)18)11-5-4-6-12(10-11)19-2/h4-6,10,13,16H,3,7-9H2,1-2H3.
What are the key properties of 5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 260.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83241897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).