6-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one

C18H28N2O — CID 83263190

IUPAC6-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(CC2CC3CCC2C3)C(C2CCCC2)NC12CC2
InChIInChI=1S/C18H28N2O/c21-17-18(7-8-18)19-16(13-3-1-2-4-13)20(17)11-15-10-12-5-6-14(15)9-12/h12-16,19H,1-11H2
InChIKeyOCMNQHUJGRXLKD-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.90
Rot. Bonds3

About 6-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one

6-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83263190) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 6-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83263190
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name6-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(CC2CC3CCC2C3)C(C2CCCC2)NC12CC2
InChIInChI=1S/C18H28N2O/c21-17-18(7-8-18)19-16(13-3-1-2-4-13)20(17)11-15-10-12-5-6-14(15)9-12/h12-16,19H,1-11H2
InChIKeyOCMNQHUJGRXLKD-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one with MolForge

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Related Compounds

5-cyclopentyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83245762
2-cyclopentyl-3-(thiolan-2-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83270006
5-cyclopentyl-6-(3-methyl-2-propan-2-ylbutyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 102916097
2-cyclopentyl-3-(2-methylsulfanylethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257871
5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270056
1-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-diazinane-2,4,6-trione
CID 112598016
5-cyclopentyl-6-(3-propoxypropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83260733
6-(2-butoxyethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83253351
3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one
CID 83257279
1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione
CID 98186318
1-(2-bicyclo[2.2.1]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one
CID 22985300
2-cyclopentyl-3-(2-methylcyclopentyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83264147

Frequently Asked Questions

What is the IUPAC name of 6-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83263190) is 6-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one is O=C1N(CC2CC3CCC2C3)C(C2CCCC2)NC12CC2.
What is the InChIKey of 6-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is OCMNQHUJGRXLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c21-17-18(7-8-18)19-16(13-3-1-2-4-13)20(17)11-15-10-12-5-6-14(15)9-12/h12-16,19H,1-11H2.
What are the key properties of 6-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one?
6-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 288.44 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83263190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).