1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one

C18H32N2O2 — CID 91921879

IUPAC1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC2(CC1)CN(C1CCC1)CC2CO
InChIInChI=1S/C18H32N2O2/c1-17(2,3)16(22)19-9-7-18(8-10-19)13-20(11-14(18)12-21)15-5-4-6-15/h14-15,21H,4-13H2,1-3H3
InChIKeyOIUQPCKCGJZLOK-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.12
Rot. Bonds2

About 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one

1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one (PubChem CID 91921879) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one
PubChem CID91921879
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC2(CC1)CN(C1CCC1)CC2CO
InChIInChI=1S/C18H32N2O2/c1-17(2,3)16(22)19-9-7-18(8-10-19)13-20(11-14(18)12-21)15-5-4-6-15/h14-15,21H,4-13H2,1-3H3
InChIKeyOIUQPCKCGJZLOK-UHFFFAOYSA-N
XLogP2.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-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-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one (CID 91921879) is 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC2(CC1)CN(C1CCC1)CC2CO.
What is the InChIKey of 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one?
The InChIKey is OIUQPCKCGJZLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-17(2,3)16(22)19-9-7-18(8-10-19)13-20(11-14(18)12-21)15-5-4-6-15/h14-15,21H,4-13H2,1-3H3.
What are the key properties of 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one?
1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one has a molecular weight of 308.47 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 91921879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).