2-methoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane

C14H23N3O — CID 97451267

IUPAC2-methoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane
SMILESCOC1CC2(CCN(Cc3nccn3C)CC2)C1
InChIInChI=1S/C14H23N3O/c1-16-8-5-15-13(16)11-17-6-3-14(4-7-17)9-12(10-14)18-2/h5,8,12H,3-4,6-7,9-11H2,1-2H3
InChIKeyLAASTMHOINRTKI-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.81
Rot. Bonds3

About 2-methoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane

2-methoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane (PubChem CID 97451267) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-methoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane
PubChem CID97451267
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-methoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane
SMILESCOC1CC2(CCN(Cc3nccn3C)CC2)C1
InChIInChI=1S/C14H23N3O/c1-16-8-5-15-13(16)11-17-6-3-14(4-7-17)9-12(10-14)18-2/h5,8,12H,3-4,6-7,9-11H2,1-2H3
InChIKeyLAASTMHOINRTKI-UHFFFAOYSA-N
XLogP1.81
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-methyl-1H-imidazol-2-yl)-1-[2-(tetrahydro-3-furanyl)ethyl]piperidine
CID 70751123
3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-(3-methoxypropyl)piperidine
CID 72856636
{3-ethyl-1-[(1-propyl-1H-imidazol-2-yl)methyl]-3-piperidinyl}methanol
CID 72878540
7-[(1-Methylimidazol-2-yl)methyl]-2-oxa-7-azaspiro[3.5]nonane
CID 97399390
2-Ethoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane
CID 97451228
7-[(1-Methylimidazol-2-yl)methyl]-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane
CID 97451248
2-[(1-Methylimidazol-2-yl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 118746912
(3-Methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylimidazol-2-yl)methanone
CID 110197967
7-[3-(2-methyl-1H-imidazol-1-yl)propyl]-1-oxa-7-azaspiro[3.5]nonane
CID 91831823
[(3S)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol
CID 97120591
2-Ethoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 118742905
7-[(1-Methylimidazol-2-yl)methyl]-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 118742915

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane?
The IUPAC name of 2-methoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane (CID 97451267) is 2-methoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-methoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-methoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane is COC1CC2(CCN(Cc3nccn3C)CC2)C1.
What is the InChIKey of 2-methoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane?
The InChIKey is LAASTMHOINRTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16-8-5-15-13(16)11-17-6-3-14(4-7-17)9-12(10-14)18-2/h5,8,12H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of 2-methoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane?
2-methoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane has a molecular weight of 249.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 97451267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).