1-(8-azaspiro[4.5]decan-8-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one

C18H29N3O — CID 71984085

IUPAC1-(8-azaspiro[4.5]decan-8-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCC(C)c1nccn1CCC(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C18H29N3O/c1-15(2)17-19-10-14-21(17)11-5-16(22)20-12-8-18(9-13-20)6-3-4-7-18/h10,14-15H,3-9,11-13H2,1-2H3
InChIKeyJRACHTYGMFQLDO-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.58
Rot. Bonds4

About 1-(8-azaspiro[4.5]decan-8-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one

1-(8-azaspiro[4.5]decan-8-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one (PubChem CID 71984085) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(8-azaspiro[4.5]decan-8-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(8-azaspiro[4.5]decan-8-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
PubChem CID71984085
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name1-(8-azaspiro[4.5]decan-8-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCC(C)c1nccn1CCC(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C18H29N3O/c1-15(2)17-19-10-14-21(17)11-5-16(22)20-12-8-18(9-13-20)6-3-4-7-18/h10,14-15H,3-9,11-13H2,1-2H3
InChIKeyJRACHTYGMFQLDO-UHFFFAOYSA-N
XLogP3.58
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(8-azaspiro[4.5]decan-8-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(8-azaspiro[4.5]decan-8-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-(8-azaspiro[4.5]decan-8-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one (CID 71984085) is 1-(8-azaspiro[4.5]decan-8-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(8-azaspiro[4.5]decan-8-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-(8-azaspiro[4.5]decan-8-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one is CC(C)c1nccn1CCC(=O)N1CCC2(CCCC2)CC1.
What is the InChIKey of 1-(8-azaspiro[4.5]decan-8-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The InChIKey is JRACHTYGMFQLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-15(2)17-19-10-14-21(17)11-5-16(22)20-12-8-18(9-13-20)6-3-4-7-18/h10,14-15H,3-9,11-13H2,1-2H3.
What are the key properties of 1-(8-azaspiro[4.5]decan-8-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
1-(8-azaspiro[4.5]decan-8-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one has a molecular weight of 303.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azaspiro[4.5]decan-8-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 71984085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).