[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methylcyclohexyl)methanone

C20H27FN2O3 — CID 155871177

IUPAC[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CC[C@]3(C[C@@H](Oc4ncccc4F)CO3)C2)CC1
InChIInChI=1S/C20H27FN2O3/c1-14-4-6-15(7-5-14)19(24)23-10-8-20(13-23)11-16(12-25-20)26-18-17(21)3-2-9-22-18/h2-3,9,14-16H,4-8,10-13H2,1H3/t14?,15?,16-,20+/m1/s1
InChIKeyGJEGVXKVXWMJOB-NWHAJJJESA-N
MW362.45 g/mol
LogP3.19
Rot. Bonds3

About [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methylcyclohexyl)methanone

[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methylcyclohexyl)methanone (PubChem CID 155871177) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methylcyclohexyl)methanone
PubChem CID155871177
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC Name[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CC[C@]3(C[C@@H](Oc4ncccc4F)CO3)C2)CC1
InChIInChI=1S/C20H27FN2O3/c1-14-4-6-15(7-5-14)19(24)23-10-8-20(13-23)11-16(12-25-20)26-18-17(21)3-2-9-22-18/h2-3,9,14-16H,4-8,10-13H2,1H3/t14?,15?,16-,20+/m1/s1
InChIKeyGJEGVXKVXWMJOB-NWHAJJJESA-N
XLogP3.19
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 97477596
2-(dimethylamino)-1-[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131662176
3-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1-methylpyridin-2-one
CID 155871831
1-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone
CID 97420088
[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155842871
1-[(3R,5R)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-methylsulfonylpropan-1-one
CID 155875338
[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone
CID 97419632
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,2-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 127021767
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155837773
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 97420082
cyclopropyl-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;formic acid
CID 155872470
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155824461

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methylcyclohexyl)methanone?
The IUPAC name of [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methylcyclohexyl)methanone (CID 155871177) is [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methylcyclohexyl)methanone.
What is the SMILES notation for [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methylcyclohexyl)methanone?
The canonical SMILES for [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)N2CC[C@]3(C[C@@H](Oc4ncccc4F)CO3)C2)CC1.
What is the InChIKey of [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methylcyclohexyl)methanone?
The InChIKey is GJEGVXKVXWMJOB-NWHAJJJESA-N. The full InChI is InChI=1S/C20H27FN2O3/c1-14-4-6-15(7-5-14)19(24)23-10-8-20(13-23)11-16(12-25-20)26-18-17(21)3-2-9-22-18/h2-3,9,14-16H,4-8,10-13H2,1H3/t14?,15?,16-,20+/m1/s1.
What are the key properties of [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methylcyclohexyl)methanone?
[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methylcyclohexyl)methanone has a molecular weight of 362.45 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 155871177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).