5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one

C18H32N2O — CID 83270056

IUPAC5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCCCCCCN1C(=O)C2(CC2)NC1C1CCCC1
InChIInChI=1S/C18H32N2O/c1-2-3-4-5-6-9-14-20-16(15-10-7-8-11-15)19-18(12-13-18)17(20)21/h15-16,19H,2-14H2,1H3
InChIKeyOQVSHNHBDAMAPV-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.83
Rot. Bonds8

About 5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one

5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83270056) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83270056
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCCCCCCN1C(=O)C2(CC2)NC1C1CCCC1
InChIInChI=1S/C18H32N2O/c1-2-3-4-5-6-9-14-20-16(15-10-7-8-11-15)19-18(12-13-18)17(20)21/h15-16,19H,2-14H2,1H3
InChIKeyOQVSHNHBDAMAPV-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-butoxyethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83253351
5-cyclopentyl-6-(3-propoxypropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83260733
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-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83260540
6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83238133
5-cyclopentyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83245762
2-cyclopentyl-3-octylimidazolidin-4-one
CID 83260832
8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886104
6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270030
3-(2-butoxyethyl)-2-cyclopentyl-5-ethyl-5-methylimidazolidin-4-one
CID 83253164
2-cyclopentyl-5-ethyl-3-(4-methoxybutyl)-5-methylimidazolidin-4-one
CID 83244840

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83270056) is 5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one is CCCCCCCCN1C(=O)C2(CC2)NC1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is OQVSHNHBDAMAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-2-3-4-5-6-9-14-20-16(15-10-7-8-11-15)19-18(12-13-18)17(20)21/h15-16,19H,2-14H2,1H3.
What are the key properties of 5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one?
5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 292.47 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83270056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).