5-cyclopentyl-6-(3-propoxypropyl)-4,6-diazaspiro[2.4]heptan-7-one

C16H28N2O2 — CID 83260733

IUPAC5-cyclopentyl-6-(3-propoxypropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCOCCCN1C(=O)C2(CC2)NC1C1CCCC1
InChIInChI=1S/C16H28N2O2/c1-2-11-20-12-5-10-18-14(13-6-3-4-7-13)17-16(8-9-16)15(18)19/h13-14,17H,2-12H2,1H3
InChIKeyVYLUOWCMHWMMKJ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.28
Rot. Bonds7

About 5-cyclopentyl-6-(3-propoxypropyl)-4,6-diazaspiro[2.4]heptan-7-one

5-cyclopentyl-6-(3-propoxypropyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83260733) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 5-cyclopentyl-6-(3-propoxypropyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-cyclopentyl-6-(3-propoxypropyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83260733
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name5-cyclopentyl-6-(3-propoxypropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCOCCCN1C(=O)C2(CC2)NC1C1CCCC1
InChIInChI=1S/C16H28N2O2/c1-2-11-20-12-5-10-18-14(13-6-3-4-7-13)17-16(8-9-16)15(18)19/h13-14,17H,2-12H2,1H3
InChIKeyVYLUOWCMHWMMKJ-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-octyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270056
3-(2-butoxyethyl)-2-cyclopentyl-5-ethyl-5-methylimidazolidin-4-one
CID 83253164
2-cyclopentyl-3-(2-methylsulfanylethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257871
5-cyclopentyl-6-(3-methyl-2-propan-2-ylbutyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 102916097
5-cyclopentyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83245762
2-cyclopentyl-5-ethyl-3-(4-methoxybutyl)-5-methylimidazolidin-4-one
CID 83244840
6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83238133
6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83264366
5-cyclopentyl-6-(2-methylpentan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83246084
6-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83263190
9-(3-ethoxypropyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64958654

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-6-(3-propoxypropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-cyclopentyl-6-(3-propoxypropyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83260733) is 5-cyclopentyl-6-(3-propoxypropyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-cyclopentyl-6-(3-propoxypropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-cyclopentyl-6-(3-propoxypropyl)-4,6-diazaspiro[2.4]heptan-7-one is CCCOCCCN1C(=O)C2(CC2)NC1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-6-(3-propoxypropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is VYLUOWCMHWMMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-11-20-12-5-10-18-14(13-6-3-4-7-13)17-16(8-9-16)15(18)19/h13-14,17H,2-12H2,1H3.
What are the key properties of 5-cyclopentyl-6-(3-propoxypropyl)-4,6-diazaspiro[2.4]heptan-7-one?
5-cyclopentyl-6-(3-propoxypropyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 280.41 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-6-(3-propoxypropyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83260733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).