3-(3-imidazol-1-ylpropoxy)-1-oxa-8-azaspiro[4.5]decane

C14H23N3O2 — CID 102930394

IUPAC3-(3-imidazol-1-ylpropoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESc1cn(CCCOC2COC3(CCNCC3)C2)cn1
InChIInChI=1S/C14H23N3O2/c1(7-17-8-6-16-12-17)9-18-13-10-14(19-11-13)2-4-15-5-3-14/h6,8,12-13,15H,1-5,7,9-11H2
InChIKeyZLPIZRYDYQBARJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.20
Rot. Bonds5

About 3-(3-imidazol-1-ylpropoxy)-1-oxa-8-azaspiro[4.5]decane

3-(3-imidazol-1-ylpropoxy)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930394) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropoxy)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropoxy)-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930394
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(3-imidazol-1-ylpropoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESc1cn(CCCOC2COC3(CCNCC3)C2)cn1
InChIInChI=1S/C14H23N3O2/c1(7-17-8-6-16-12-17)9-18-13-10-14(19-11-13)2-4-15-5-3-14/h6,8,12-13,15H,1-5,7,9-11H2
InChIKeyZLPIZRYDYQBARJ-UHFFFAOYSA-N
XLogP1.20
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-imidazol-1-ylpropoxy)cyclohexyl]methanol
CID 106825588
5-(3-imidazol-1-ylpropoxy)-2-methylpiperidine
CID 62074285
3-(2-imidazol-1-ylethoxy)piperidine
CID 106937689
(4S)-N-(3-imidazol-1-ylpropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96579257
1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole
CID 114796227
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
4-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]-4-methylpiperidine
CID 114718896
3-[(E)-2,3-dichloroprop-2-enoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930085
3-[(4-methoxyphenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930200
2-[1-(1-oxa-8-azaspiro[4.5]decan-3-yloxymethyl)cyclopropyl]acetonitrile
CID 102930322
N,N-dimethyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)acetamide
CID 102930339
(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97486843

Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropoxy)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(3-imidazol-1-ylpropoxy)-1-oxa-8-azaspiro[4.5]decane (CID 102930394) is 3-(3-imidazol-1-ylpropoxy)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(3-imidazol-1-ylpropoxy)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(3-imidazol-1-ylpropoxy)-1-oxa-8-azaspiro[4.5]decane is c1cn(CCCOC2COC3(CCNCC3)C2)cn1.
What is the InChIKey of 3-(3-imidazol-1-ylpropoxy)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is ZLPIZRYDYQBARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1(7-17-8-6-16-12-17)9-18-13-10-14(19-11-13)2-4-15-5-3-14/h6,8,12-13,15H,1-5,7,9-11H2.
What are the key properties of 3-(3-imidazol-1-ylpropoxy)-1-oxa-8-azaspiro[4.5]decane?
3-(3-imidazol-1-ylpropoxy)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 265.36 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropoxy)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).