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

C21H36N2O2 — CID 91921862

IUPAC1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone
SMILESO=C(CC1CCCCC1)N1CCC2(CC1)CN(C1CCC1)CC2CO
InChIInChI=1S/C21H36N2O2/c24-15-18-14-23(19-7-4-8-19)16-21(18)9-11-22(12-10-21)20(25)13-17-5-2-1-3-6-17/h17-19,24H,1-16H2
InChIKeyRBUQFEKSQDOYEH-UHFFFAOYSA-N
MW348.53 g/mol
LogP3.04
Rot. Bonds4

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

1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone (PubChem CID 91921862) has the molecular formula C21H36N2O2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone.

Molecular Properties

Compound Name1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone
PubChem CID91921862
Molecular FormulaC21H36N2O2
Molecular Weight348.53 g/mol
Exact Mass348.28
IUPAC Name1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone
SMILESO=C(CC1CCCCC1)N1CCC2(CC1)CN(C1CCC1)CC2CO
InChIInChI=1S/C21H36N2O2/c24-15-18-14-23(19-7-4-8-19)16-21(18)9-11-22(12-10-21)20(25)13-17-5-2-1-3-6-17/h17-19,24H,1-16H2
InChIKeyRBUQFEKSQDOYEH-UHFFFAOYSA-N
XLogP3.04
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one
CID 91921879
2-cyclohexyl-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91910406
[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-ethylpyrazol-4-yl)methanone
CID 91922269
2-cyclohexyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372498
2-cyclopentyl-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706726
1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 91922207
1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid
CID 115924013
2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997204
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
3-cyclohexyl-1-[8-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-azaspiro[3.4]octan-6-yl]propan-1-one
CID 154579640
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 39997538

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone?
The IUPAC name of 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone (CID 91921862) is 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone.
What is the SMILES notation for 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone?
The canonical SMILES for 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone is O=C(CC1CCCCC1)N1CCC2(CC1)CN(C1CCC1)CC2CO.
What is the InChIKey of 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone?
The InChIKey is RBUQFEKSQDOYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O2/c24-15-18-14-23(19-7-4-8-19)16-21(18)9-11-22(12-10-21)20(25)13-17-5-2-1-3-6-17/h17-19,24H,1-16H2.
What are the key properties of 1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone?
1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone has a molecular weight of 348.53 g/mol, XLogP of 3.04, 4 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-cyclohexylethanone is sourced from PubChem (CID 91921862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).