6-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one

C16H23N3O2 — CID 83248015

IUPAC6-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCOc1cccc(C2NC3(CC3)C(=O)N2CCN(C)C)c1
InChIInChI=1S/C16H23N3O2/c1-18(2)9-10-19-14(17-16(7-8-16)15(19)20)12-5-4-6-13(11-12)21-3/h4-6,11,14,17H,7-10H2,1-3H3
InChIKeyRBSPXAIWFIWTCR-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.22
Rot. Bonds5

About 6-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one

6-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83248015) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83248015
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCOc1cccc(C2NC3(CC3)C(=O)N2CCN(C)C)c1
InChIInChI=1S/C16H23N3O2/c1-18(2)9-10-19-14(17-16(7-8-16)15(19)20)12-5-4-6-13(11-12)21-3/h4-6,11,14,17H,7-10H2,1-3H3
InChIKeyRBSPXAIWFIWTCR-UHFFFAOYSA-N
XLogP1.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241897
6-[2-(dimethylamino)ethyl]-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248007
5-(3-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83250897
5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242074
5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83253608
(2S)-3-acetyl-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 839047
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-(3-chlorophenyl)-6-pentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83251394
5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83243214
6-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245466

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83248015) is 6-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one is COc1cccc(C2NC3(CC3)C(=O)N2CCN(C)C)c1.
What is the InChIKey of 6-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is RBSPXAIWFIWTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18(2)9-10-19-14(17-16(7-8-16)15(19)20)12-5-4-6-13(11-12)21-3/h4-6,11,14,17H,7-10H2,1-3H3.
What are the key properties of 6-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 289.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83248015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).