3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione

C15H24N2O3 — CID 62019381

IUPAC3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESCC(=O)CCCN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C15H24N2O3/c1-12(18)8-7-11-17-13(19)15(16-14(17)20)9-5-3-2-4-6-10-15/h2-11H2,1H3,(H,16,20)
InChIKeyOVYQZMKAXYJPLJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.39
Rot. Bonds4

About 3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione

3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 62019381) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

Compound Name3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
PubChem CID62019381
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESCC(=O)CCCN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C15H24N2O3/c1-12(18)8-7-11-17-13(19)15(16-14(17)20)9-5-3-2-4-6-10-15/h2-11H2,1H3,(H,16,20)
InChIKeyOVYQZMKAXYJPLJ-UHFFFAOYSA-N
XLogP2.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60666732
8-methyl-3-(4-oxopentyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 62025169
3-(2-oxopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610156
3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509729
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
3-(3-aminopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071372
3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509728
3-(2-hydroxyethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 12866
3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 75481374
3-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-oxobutyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 97201760
3-(3-aminopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 25323207
3-[4-oxo-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 55441904

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The IUPAC name of 3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 62019381) is 3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione.
What is the SMILES notation for 3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The canonical SMILES for 3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione is CC(=O)CCCN1C(=O)NC2(CCCCCCC2)C1=O.
What is the InChIKey of 3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The InChIKey is OVYQZMKAXYJPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12(18)8-7-11-17-13(19)15(16-14(17)20)9-5-3-2-4-6-10-15/h2-11H2,1H3,(H,16,20).
What are the key properties of 3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione?
3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 280.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 62019381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).