8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione

C15H21N3O2 — CID 5156407

IUPAC8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCn1ccnc1
InChIInChI=1S/C15H21N3O2/c19-13-10-15(4-1-2-5-15)11-14(20)18(13)8-3-7-17-9-6-16-12-17/h6,9,12H,1-5,7-8,10-11H2
InChIKeyBHPSWMHMZKTGAR-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.98
Rot. Bonds4

About 8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione

8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 5156407) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione
PubChem CID5156407
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCn1ccnc1
InChIInChI=1S/C15H21N3O2/c19-13-10-15(4-1-2-5-15)11-14(20)18(13)8-3-7-17-9-6-16-12-17/h6,9,12H,1-5,7-8,10-11H2
InChIKeyBHPSWMHMZKTGAR-UHFFFAOYSA-N
XLogP1.98
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione
CID 11746691
8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione
CID 139959182
7-amino-1-(3-imidazol-1-ylpropyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 61494690
1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
CID 64874044
2-(3-imidazol-1-ylpropyl)-5-[2-(3-imidazol-1-ylpropyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
CID 17296157
3-[5-(diethylamino)pentyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 125489526
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
CID 116624386
3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 125489551
ethanol;8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 67603403
N-(4-imidazol-1-ylbutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967819
1-(chloromethyl)-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine
CID 65025711

Frequently Asked Questions

What is the IUPAC name of 8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione (CID 5156407) is 8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CCCn1ccnc1.
What is the InChIKey of 8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is BHPSWMHMZKTGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-13-10-15(4-1-2-5-15)11-14(20)18(13)8-3-7-17-9-6-16-12-17/h6,9,12H,1-5,7-8,10-11H2.
What are the key properties of 8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione?
8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 275.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 5156407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).