5-(4-tert-butylphenyl)-6-methyl-4,6-diazaspiro[2.4]heptan-7-one

C16H22N2O — CID 83261938

IUPAC5-(4-tert-butylphenyl)-6-methyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCN1C(=O)C2(CC2)NC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22N2O/c1-15(2,3)12-7-5-11(6-8-12)13-17-16(9-10-16)14(19)18(13)4/h5-8,13,17H,9-10H2,1-4H3
InChIKeyGYPKQWSJXMZYAL-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.58
Rot. Bonds1

About 5-(4-tert-butylphenyl)-6-methyl-4,6-diazaspiro[2.4]heptan-7-one

5-(4-tert-butylphenyl)-6-methyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83261938) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-6-methyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-6-methyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83261938
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name5-(4-tert-butylphenyl)-6-methyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCN1C(=O)C2(CC2)NC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22N2O/c1-15(2,3)12-7-5-11(6-8-12)13-17-16(9-10-16)14(19)18(13)4/h5-8,13,17H,9-10H2,1-4H3
InChIKeyGYPKQWSJXMZYAL-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-tert-butylphenyl)-6-methyl-4,6-diazaspiro[2.4]heptan-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 4060
CID 4060
CID 107921
CID 107921
CID 2107999
CID 2107999
CID 40633600
CID 40633600
CID 3718519
CID 3718519
CID 74221070
CID 74221070
CID 4601988
CID 4601988
CID 46195331
CID 46195331
CID 119127
CID 119127
CID 12901637
CID 12901637
CID 24860362
CID 24860362
CID 4804492
CID 4804492

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-6-methyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(4-tert-butylphenyl)-6-methyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83261938) is 5-(4-tert-butylphenyl)-6-methyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(4-tert-butylphenyl)-6-methyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(4-tert-butylphenyl)-6-methyl-4,6-diazaspiro[2.4]heptan-7-one is CN1C(=O)C2(CC2)NC1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-6-methyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is GYPKQWSJXMZYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-15(2,3)12-7-5-11(6-8-12)13-17-16(9-10-16)14(19)18(13)4/h5-8,13,17H,9-10H2,1-4H3.
What are the key properties of 5-(4-tert-butylphenyl)-6-methyl-4,6-diazaspiro[2.4]heptan-7-one?
5-(4-tert-butylphenyl)-6-methyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 258.36 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-6-methyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83261938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).