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

C18H26N2O — CID 83246689

IUPAC5-(4-tert-butylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCN1C(=O)C2(CC2)NC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H26N2O/c1-5-12-20-15(19-18(10-11-18)16(20)21)13-6-8-14(9-7-13)17(2,3)4/h6-9,15,19H,5,10-12H2,1-4H3
InChIKeyISCAXVNOEIQINV-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.36
Rot. Bonds3

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

5-(4-tert-butylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83246689) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83246689
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name5-(4-tert-butylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCN1C(=O)C2(CC2)NC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H26N2O/c1-5-12-20-15(19-18(10-11-18)16(20)21)13-6-8-14(9-7-13)17(2,3)4/h6-9,15,19H,5,10-12H2,1-4H3
InChIKeyISCAXVNOEIQINV-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242074
5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241982
(2S)-2-(4-tert-butylphenyl)-3-[2-(4-ethylphenyl)ethyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 143822946
5-(4-tert-butylphenyl)-6-methyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83261938
5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242438
6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83268444
5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83243214
5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242531
5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241897
6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83239062
5-(4-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83243144
5-methyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241893

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(4-tert-butylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83246689) is 5-(4-tert-butylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(4-tert-butylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(4-tert-butylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one is CCCN1C(=O)C2(CC2)NC1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is ISCAXVNOEIQINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-12-20-15(19-18(10-11-18)16(20)21)13-6-8-14(9-7-13)17(2,3)4/h6-9,15,19H,5,10-12H2,1-4H3.
What are the key properties of 5-(4-tert-butylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
5-(4-tert-butylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 286.42 g/mol, XLogP of 3.36, 3 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-propyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83246689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).