[(3R,5R)-3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone

C18H30N4O3 — CID 97397311

IUPAC[(3R,5R)-3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone
SMILESCOCCN(C)C[C@@H]1CO[C@]2(CCCN(C(=O)c3nccn3C)C2)C1
InChIInChI=1S/C18H30N4O3/c1-20(9-10-24-3)12-15-11-18(25-13-15)5-4-7-22(14-18)17(23)16-19-6-8-21(16)2/h6,8,15H,4-5,7,9-14H2,1-3H3/t15-,18-/m1/s1
InChIKeyAZQPPPUMQUVTBQ-CRAIPNDOSA-N
MW350.46 g/mol
LogP1.01
Rot. Bonds6

About [(3R,5R)-3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone

[(3R,5R)-3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 97397311) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is [(3R,5R)-3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[(3R,5R)-3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID97397311
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name[(3R,5R)-3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone
SMILESCOCCN(C)C[C@@H]1CO[C@]2(CCCN(C(=O)c3nccn3C)C2)C1
InChIInChI=1S/C18H30N4O3/c1-20(9-10-24-3)12-15-11-18(25-13-15)5-4-7-22(14-18)17(23)16-19-6-8-21(16)2/h6,8,15H,4-5,7,9-14H2,1-3H3/t15-,18-/m1/s1
InChIKeyAZQPPPUMQUVTBQ-CRAIPNDOSA-N
XLogP1.01
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [(3R,5R)-3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone (CID 97397311) is [(3R,5R)-3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [(3R,5R)-3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [(3R,5R)-3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone is COCCN(C)C[C@@H]1CO[C@]2(CCCN(C(=O)c3nccn3C)C2)C1.
What is the InChIKey of [(3R,5R)-3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is AZQPPPUMQUVTBQ-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-20(9-10-24-3)12-15-11-18(25-13-15)5-4-7-22(14-18)17(23)16-19-6-8-21(16)2/h6,8,15H,4-5,7,9-14H2,1-3H3/t15-,18-/m1/s1.
What are the key properties of [(3R,5R)-3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone?
[(3R,5R)-3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 350.46 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-[[2-methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 97397311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).