6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

C18H26N2O — CID 83225055

IUPAC6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC(C)N1C(=O)C2(CC2)NC1c1ccc(C(C)C)cc1
InChIInChI=1S/C18H26N2O/c1-5-13(4)20-16(19-18(10-11-18)17(20)21)15-8-6-14(7-9-15)12(2)3/h6-9,12-13,16,19H,5,10-11H2,1-4H3
InChIKeyFPGSNHRGKZJCMN-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.57
Rot. Bonds4

About 6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83225055) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83225055
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC(C)N1C(=O)C2(CC2)NC1c1ccc(C(C)C)cc1
InChIInChI=1S/C18H26N2O/c1-5-13(4)20-16(19-18(10-11-18)17(20)21)15-8-6-14(7-9-15)12(2)3/h6-9,12-13,16,19H,5,10-11H2,1-4H3
InChIKeyFPGSNHRGKZJCMN-UHFFFAOYSA-N
XLogP3.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-butan-2-yl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83239589
5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241982
6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245173
6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83238940
6-(cyclopropylmethyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247504
6-(1-ethoxypropan-2-yl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248467
3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239233
6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263864
5-(4-chlorophenyl)-6-(1-cyclopropylethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83244732
5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83268053
3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83225076
5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83252277

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83225055) is 6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is CCC(C)N1C(=O)C2(CC2)NC1c1ccc(C(C)C)cc1.
What is the InChIKey of 6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is FPGSNHRGKZJCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-13(4)20-16(19-18(10-11-18)17(20)21)15-8-6-14(7-9-15)12(2)3/h6-9,12-13,16,19H,5,10-11H2,1-4H3.
What are the key properties of 6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 286.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83225055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).