[(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxynaphthalen-1-yl)methanone

C26H26FNO4 — CID 155986478

IUPAC[(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxynaphthalen-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@]3(C[C@@H](Oc4ccc(F)cc4)CO3)C2)c2ccccc12
InChIInChI=1S/C26H26FNO4/c1-30-24-12-11-23(21-5-2-3-6-22(21)24)25(29)28-14-4-13-26(17-28)15-20(16-31-26)32-19-9-7-18(27)8-10-19/h2-3,5-12,20H,4,13-17H2,1H3/t20-,26+/m1/s1
InChIKeyHYCOUGABVOACLR-IBVKSMDESA-N
MW435.50 g/mol
LogP4.83
Rot. Bonds4

About [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxynaphthalen-1-yl)methanone

[(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxynaphthalen-1-yl)methanone (PubChem CID 155986478) has the molecular formula C26H26FNO4 and a molecular weight of 435.50 g/mol. Its IUPAC name is [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxynaphthalen-1-yl)methanone.

Molecular Properties

Compound Name[(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxynaphthalen-1-yl)methanone
PubChem CID155986478
Molecular FormulaC26H26FNO4
Molecular Weight435.50 g/mol
Exact Mass435.18
IUPAC Name[(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxynaphthalen-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@]3(C[C@@H](Oc4ccc(F)cc4)CO3)C2)c2ccccc12
InChIInChI=1S/C26H26FNO4/c1-30-24-12-11-23(21-5-2-3-6-22(21)24)25(29)28-14-4-13-26(17-28)15-20(16-31-26)32-19-9-7-18(27)8-10-19/h2-3,5-12,20H,4,13-17H2,1H3/t20-,26+/m1/s1
InChIKeyHYCOUGABVOACLR-IBVKSMDESA-N
XLogP4.83
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 110142025
[(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanone
CID 110150441
(4-fluoro-2-methylphenyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97423053
(2,4-dimethoxyphenyl)-[(3R,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 155876839
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R,5R)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 110141941
[(3R)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 124948324
[(3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 124948323
[(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridazin-3-ylmethanone
CID 110138846
(2-methylphenyl)-(3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl)methanone;2,2,2-trifluoroacetic acid
CID 155866870
[(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 110141838
[(3S,5S)-3-ethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155831753
4-(4-fluorophenyl)-8-(2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999569

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxynaphthalen-1-yl)methanone?
The IUPAC name of [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxynaphthalen-1-yl)methanone (CID 155986478) is [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxynaphthalen-1-yl)methanone.
What is the SMILES notation for [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxynaphthalen-1-yl)methanone?
The canonical SMILES for [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxynaphthalen-1-yl)methanone is COc1ccc(C(=O)N2CCC[C@]3(C[C@@H](Oc4ccc(F)cc4)CO3)C2)c2ccccc12.
What is the InChIKey of [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxynaphthalen-1-yl)methanone?
The InChIKey is HYCOUGABVOACLR-IBVKSMDESA-N. The full InChI is InChI=1S/C26H26FNO4/c1-30-24-12-11-23(21-5-2-3-6-22(21)24)25(29)28-14-4-13-26(17-28)15-20(16-31-26)32-19-9-7-18(27)8-10-19/h2-3,5-12,20H,4,13-17H2,1H3/t20-,26+/m1/s1.
What are the key properties of [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxynaphthalen-1-yl)methanone?
[(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxynaphthalen-1-yl)methanone has a molecular weight of 435.50 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxynaphthalen-1-yl)methanone is sourced from PubChem (CID 155986478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).