2-[2-(1H-imidazol-5-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione

C14H19N3O2 — CID 65231471

IUPAC2-[2-(1H-imidazol-5-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1CCc1cnc[nH]1
InChIInChI=1S/C14H19N3O2/c18-12-8-14(5-2-1-3-6-14)13(19)17(12)7-4-11-9-15-10-16-11/h9-10H,1-8H2,(H,15,16)
InChIKeyXKAHXICWRKHWDN-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.66
Rot. Bonds3

About 2-[2-(1H-imidazol-5-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione

2-[2-(1H-imidazol-5-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 65231471) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione
PubChem CID65231471
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[2-(1H-imidazol-5-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1CCc1cnc[nH]1
InChIInChI=1S/C14H19N3O2/c18-12-8-14(5-2-1-3-6-14)13(19)17(12)7-4-11-9-15-10-16-11/h9-10H,1-8H2,(H,15,16)
InChIKeyXKAHXICWRKHWDN-UHFFFAOYSA-N
XLogP1.66
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

GT-2016
CID 9839975
N-[2-(1h-imidazol-4-yl)ethyl]-4-cyclohexylbutanamide
CID 10264751
1-[2-(1h-Imidazol-5-yl)ethyl]-2,5-pyrrolidinedione
CID 726452
2-[(1S,3R,5S)-3-(1H-imidazol-5-ylmethyl)-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide
CID 10041583
2-[(1S,3S,5S)-3-(1H-imidazol-5-ylmethyl)-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide
CID 10245338
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
N-(2-(1H-imidazol-5-yl)ethyl)octanamide
CID 64178904
(2S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-N-[3-(1H-imidazol-5-yl)propyl]pyrrolidine-2-carboxamide
CID 10253084
(2S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-N-[4-(1H-imidazol-5-yl)butyl]pyrrolidine-2-carboxamide
CID 44326370
(2S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 44326378
N-[2-(1H-imidazol-4-yl)ethyl]-1-isobutyl-5-oxopyrrolidine-3-carboxamide
CID 50964290
8-(cyclopentylcarbonyl)-2-[2-(1H-imidazol-4-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70706292

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione (CID 65231471) is 2-[2-(1H-imidazol-5-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione is O=C1CC2(CCCCC2)C(=O)N1CCc1cnc[nH]1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is XKAHXICWRKHWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-12-8-14(5-2-1-3-6-14)13(19)17(12)7-4-11-9-15-10-16-11/h9-10H,1-8H2,(H,15,16).
What are the key properties of 2-[2-(1H-imidazol-5-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione?
2-[2-(1H-imidazol-5-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 261.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 65231471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).