[(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(1-propan-2-ylimidazol-4-yl)methanone

C15H23N3O3 — CID 124725248

IUPAC[(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(1-propan-2-ylimidazol-4-yl)methanone
SMILESCC(C)n1cnc(C(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)c1
InChIInChI=1S/C15H23N3O3/c1-11(2)18-7-13(16-10-18)14(19)17-6-12(3)21-15(8-17)4-5-20-9-15/h7,10-12H,4-6,8-9H2,1-3H3/t12-,15+/m0/s1
InChIKeyBAWYBIQFWUWJEF-SWLSCSKDSA-N
MW293.37 g/mol
LogP1.48
Rot. Bonds2

About [(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(1-propan-2-ylimidazol-4-yl)methanone

[(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(1-propan-2-ylimidazol-4-yl)methanone (PubChem CID 124725248) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(1-propan-2-ylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(1-propan-2-ylimidazol-4-yl)methanone
PubChem CID124725248
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(1-propan-2-ylimidazol-4-yl)methanone
SMILESCC(C)n1cnc(C(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)c1
InChIInChI=1S/C15H23N3O3/c1-11(2)18-7-13(16-10-18)14(19)17-6-12(3)21-15(8-17)4-5-20-9-15/h7,10-12H,4-6,8-9H2,1-3H3/t12-,15+/m0/s1
InChIKeyBAWYBIQFWUWJEF-SWLSCSKDSA-N
XLogP1.48
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,5R)-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 175860922
1-[1-methyl-5-[(2S,6R)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecane-4-carbonyl]pyrrol-3-yl]ethanone
CID 124887037
(5S,7R)-N-cyclopentyl-N,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 124875169
(1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-[(4S)-4,5,5-trimethyl-4H-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 175866737
(5S,7S)-7-methyl-9-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-2,6-dioxa-9-azaspiro[4.5]decane
CID 124741907
4-[3-[(5R,7R)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-3-oxopropyl]benzoic acid
CID 129470656
(5S,7R)-N-(1-tert-butylpyrazol-4-yl)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 124890276
[(2R,6R)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 100645502
(5S,7S)-7-methyl-N-pyridazin-3-yl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 124741114
3,5-dimethyl-3-(7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)hexanoic acid
CID 132971279
(5R)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 175560388
[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl]methanone
CID 171359325

Frequently Asked Questions

What is the IUPAC name of [(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
The IUPAC name of [(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(1-propan-2-ylimidazol-4-yl)methanone (CID 124725248) is [(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(1-propan-2-ylimidazol-4-yl)methanone.
What is the SMILES notation for [(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
The canonical SMILES for [(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(1-propan-2-ylimidazol-4-yl)methanone is CC(C)n1cnc(C(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)c1.
What is the InChIKey of [(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
The InChIKey is BAWYBIQFWUWJEF-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(2)18-7-13(16-10-18)14(19)17-6-12(3)21-15(8-17)4-5-20-9-15/h7,10-12H,4-6,8-9H2,1-3H3/t12-,15+/m0/s1.
What are the key properties of [(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
[(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(1-propan-2-ylimidazol-4-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(1-propan-2-ylimidazol-4-yl)methanone is sourced from PubChem (CID 124725248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).