1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one

C15H24N4O — CID 146043279

IUPAC1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCC(C)c1nccn1C(C)C(=O)N1CC2(CN(C)C2)C1
InChIInChI=1S/C15H24N4O/c1-11(2)13-16-5-6-19(13)12(3)14(20)18-9-15(10-18)7-17(4)8-15/h5-6,11-12H,7-10H2,1-4H3
InChIKeyUQUDTCZVJXJAOP-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.34
Rot. Bonds3

About 1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one

1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one (PubChem CID 146043279) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
PubChem CID146043279
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCC(C)c1nccn1C(C)C(=O)N1CC2(CN(C)C2)C1
InChIInChI=1S/C15H24N4O/c1-11(2)13-16-5-6-19(13)12(3)14(20)18-9-15(10-18)7-17(4)8-15/h5-6,11-12H,7-10H2,1-4H3
InChIKeyUQUDTCZVJXJAOP-UHFFFAOYSA-N
XLogP1.34
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one (CID 146043279) is 1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one is CC(C)c1nccn1C(C)C(=O)N1CC2(CN(C)C2)C1.
What is the InChIKey of 1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The InChIKey is UQUDTCZVJXJAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)13-16-5-6-19(13)12(3)14(20)18-9-15(10-18)7-17(4)8-15/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?
1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 146043279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).